About 3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate;1,1-difluoro-2-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutoxy)carbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate
3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate;1,1-difluoro-2-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutoxy)carbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate (PubChem CID 157171293) has the molecular formula C107H148F30O42S6-6
and a molecular weight of 2868.66 g/mol. Its IUPAC name is 3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate;1,1-difluoro-2-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutoxy)carbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate.
Frequently Asked Questions
What is the IUPAC name of 3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate;1,1-difluoro-2-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutoxy)carbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate?
The IUPAC name of 3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate;1,1-difluoro-2-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutoxy)carbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate (CID 157171293) is 3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate;1,1-difluoro-2-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutoxy)carbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate.
What is the SMILES notation for 3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate;1,1-difluoro-2-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutoxy)carbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate?
The canonical SMILES for 3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate;1,1-difluoro-2-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutoxy)carbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate is C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1C2CCCCC2C(C(C)(O)C(F)(F)F)C2CCCCC21.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1CCC(C(C)(O)C(F)(F)F)C2CCCCC12.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1CCC2CC(C(C)(O)C(F)(F)F)CCC21.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1CCCC2C1CCCC2C(C)(O)C(F)(F)F.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OCCC(C)(O)C(F)(F)F.CC(O)(CC1CCCCC1)C(F)(F)F.
What is the InChIKey of 3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate;1,1-difluoro-2-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutoxy)carbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate?
The InChIKey is ANMNCSBUYICDEU-UHFFFAOYSA-H. The full InChI is InChI=1S/C23H33F5O7S.2C19H27F5O7S.C18H25F5O7S.C11H15F5O7S.C10H17F3O.C7H10F2O6S/c1-13(11-34-12-22(24,25)36(31,32)33)20(29)35-19-16-9-5-3-7-14(16)18(21(2,30)23(26,27)28)15-8-4-6-10-17(15)19;1-11(9-30-10-18(20,21)32(27,28)29)16(25)31-15-8-4-5-12-13(15)6-3-7-14(12)17(2,26)19(22,23)24;1-11(9-30-10-18(20,21)32(27,28)29)16(25)31-15-8-7-14(17(2,26)19(22,23)24)12-5-3-4-6-13(12)15;1-10(8-29-9-17(19,20)31(26,27)28)15(24)30-14-6-3-11-7-12(4-5-13(11)14)16(2,25)18(21,22)23;1-7(5-22-6-10(12,13)24(19,20)21)8(17)23-4-3-9(2,18)11(14,15)16;1-9(14,10(11,12)13)7-8-5-3-2-4-6-8;1-5(6(10)14-2)3-15-4-7(8,9)16(11,12)13/h14-19,30H,1,3-12H2,2H3,(H,31,32,33);2*12-15,26H,1,3-10H2,2H3,(H,27,28,29);11-14,25H,1,3-9H2,2H3,(H,26,27,28);18H,1,3-6H2,2H3,(H,19,20,21);8,14H,2-7H2,1H3;1,3-4H2,2H3,(H,11,12,13)/p-6.
What are the key properties of 3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate;1,1-difluoro-2-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutoxy)carbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate?
3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate;1,1-difluoro-2-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutoxy)carbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate has a molecular weight of 2868.66 g/mol, XLogP of 17.27, 49 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate;1,1-difluoro-2-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutoxy)carbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]oxycarbonyl]prop-2-enoxy]ethanesulfonate is sourced from PubChem (CID 157171293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).