OpenBabel07111612392D 6 5 0 0 0 0 0 0 0 0999 V2000 0.8660 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 M END > 1,1-Difluoroacetone > > 1703 > 1kg - 680 > 170 > 150 > 431-05-0 > C3H4F2O > 94.06 > 97%min > > 45-47 > > 1,16 > 1,371 $$$$ OpenBabel07111612402D 11 10 0 0 0 0 0 0 0 0999 V2000 -2.5000 0.1340 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3660 -1.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -1.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -1.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -1.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 M END > Ethyl pentafluoroethyl ketone > 1,1,1,2,2-Pentafluoropentan-3-one > 1541 > 100g - 1396 > 1600 > 20 > 378-72-3 > C5H5F5O > 176.09 > 97%min > > 61-62 > > 1,25-1,30 > 1,3015 $$$$ OpenBabel12281708462D 5 4 0 0 0 0 0 0 0 0999 V2000 1.7321 1.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 M END > Fluoroacetone > 1-Fluoropropan-2-one > 2080 > 250g - 2675 > 0 > 20 > 430-51-3 > C3H5FO > 76.07 > 97% > > 73-75 > 7 > 1,054 > 1,366-1,370 $$$$ JME 2016-11-13 Wed Jun 07 12:06:43 GMT+300 2017 10 9 0 0 0 0 0 0 0 0999 V2000 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 2 10 2 0 0 0 0 M END > Hexafluoroacetone > Perfluoroacetone > 472 > 1kg - 350 > 2600 > 1000 > 684-16-2 > C3F6O > 166.02 > 98% > -129 > -28 > none > 1,320, t=25°C > $$$$ JME 2016-11-13 Wed Jun 07 12:09:08 GMT+300 2017 23 18 0 0 0 0 0 0 0 0999 V2000 1.2124 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 3.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.9100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 3.0100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.9100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 1.6100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 4.4100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5489 2.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7613 3.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9737 2.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7612 4.4520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3364 3.0520 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5489 0.9520 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3364 1.6520 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.9737 0.9520 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.1861 3.0520 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.1862 1.6520 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8929 0.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2769 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0849 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 2 10 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 M END > Hexafluoroacetone sesquihydrate > Perfluoroacetone sesquihydrate > 473 > 1 kg - 234 > 450 > 1000 > 13098-39-0 > C3F6O.1,5H2O > 193.05 > 98% > 10-15 > 104-106 > > 1,496 > 1,308-1,312 $$$$ JME 2016-11-13 Wed Jun 07 12:10:35 GMT+300 2017 13 9 0 0 0 0 0 0 0 0999 V2000 1.4475 2.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6599 3.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8725 2.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2351 3.1220 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4476 1.0220 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2351 1.7220 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0849 3.1220 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8725 1.0220 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0849 1.7220 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6599 4.5220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4800 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 2 10 2 0 0 0 0 M END > Hexafluoroacetone trihydrate > Perfluoroacetone trihydrate > 474 > 1kg - 233 > 0 > 1000 > 34202-69-2 > C3F6O.3H2O > 220.05 > 98% > 18-21 > 105-106 > none > 1,579 > 1,319 $$$$ JME 2016-11-13 Wed Jun 07 11:50:51 GMT+300 2017 13 12 0 0 0 0 0 0 0 0999 V2000 2.4249 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.8000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6814 0.2138 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1309 0.1911 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9609 3.3257 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4134 3.2653 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 2 0 0 0 0 M END > Methyl heptafluoropropyl ketone > 1,1,1,2,2,3,3-Heptafluoro-4-pentanone; 1H,1H,1H-Heptafluoropentan-2-one; 3,3,4,4,5,5,5-Heptafluoro-2-pentanone; Perfluoropropyl methyl ketone > 461 > 100g - 1235 > 100 > 20 > 355-17-9 > C5H3F7O > 212.07 > 97% > > 61-63 > > 1,424 > 1,29-1,30 $$$$ JME 2016-11-13 Tue Jun 13 15:00:58 GMT+300 2017 10 9 0 0 0 0 0 0 0 0999 V2000 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 3.3195 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6946 3.2945 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 10 2 0 0 0 0 M END > Methyl pentafluoroethyl ketone > 3,3,4,4,4-Pentafluorobutan-2-one > 1166 > 100g - 1197 > 7090 > 50 > 374-41-4 > C4H3F5O > 162.06 > 97% > > 40-42 > > 1,284 > 1,286-1,291 $$$$ JME 2016-11-13 Wed Jun 07 15:42:11 GMT+300 2017 22 21 0 0 0 0 0 0 0 0999 V2000 1.2125 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2748 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8075 3.3566 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0443 3.3555 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 0.1851 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3089 0.1716 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2615 3.3704 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 3.3523 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5044 0.1160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7515 0.1814 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4871 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8110 3.3933 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5699 3.3096 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6995 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 18 21 1 0 0 0 0 18 22 2 0 0 0 0 M END > Methyl perfluorohexyl ketone > 1H,1H,1H-Perfluorooctan-2-one > 610 > 100g - 814 > 410 > 20 > 80793-21-1 > C8H3F13O > 362.09 > 97%min > > 130-132 > > > $$$$ JME 2016-11-13 Fri Jun 09 13:08:39 GMT+300 2017 9 8 0 0 0 0 0 0 0 0999 V2000 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1297 3.3096 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6486 3.2651 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 2 0 0 0 0 M END > 3,3,4,4-Tetrafluorobutan-2-one > > 931 > 100g - 1067 > 6230 > 40 > 679-97-0 > C4H4F4O > 144.07 > 97% > > 63-64 > > 1,3233 > 1,314 $$$$ JME 2016-11-13 Tue Jun 13 11:13:33 GMT+300 2017 7 6 0 0 0 0 0 0 0 0999 V2000 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 7 2 0 0 0 0 M END > 1,1,1-Trifluoroacetone > > 1038 > 1kg - 630 > 10040 > 500 > 421-50-1 > C3H3F3O > 112.05 > 99% > -78 > 20-22 > -30 > 1,252 > 1,2808-1,2820 $$$$ JME 2016-11-13 Tue Jun 13 11:18:05 GMT+300 2017 8 7 0 0 0 0 0 0 0 0999 V2000 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 M END > 1,1,1-Trifluorobutan-2-one > > 1053 > 1kg - 1187 > 5370 > 150 > 381-88-4 > C4H5F3O > 126.08 > 97% > > 44-45 > > 0,929 > 1,322 $$$$