2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-(2,4,6-tricyclohexylbenzoyl)oxypropane-1-sulfonate;2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]-1,1-difluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[4-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]butanoyloxy]-1,1-difluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane

C119H161F33N2O45S12-8 — CID 161478932

IUPAC2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-(2,4,6-tricyclohexylbenzoyl)oxypropane-1-sulfonate;2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]-1,1-difluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[4-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]butanoyloxy]-1,1-difluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
SMILESCC(C)(C)C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)OC(C)C(F)(F)S(=O)(=O)[O-])CCC4(C)C3CCC12C.CC(CCC(=O)OCCCC(=O)OC(C)C(F)(F)S(=O)(=O)[O-])C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C.CC(OC(=O)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1)C(F)(F)S(=O)(=O)[O-].CS(=O)(=O)[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C1CCCCC1.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C31H44F2O10S.C31H50F2O6S.C28H40F2O5S.C11H14F6O5S.C9H12F6O5S.C4H3F6O6S3.C3F6NO4S2.C2H3F3NO4S2/c1-17(7-10-26(37)42-13-5-6-27(38)43-18(2)31(32,33)44(39,40)41)21-8-9-22-28-23(16-25(36)30(21,22)4)29(3)12-11-20(34)14-19(29)15-24(28)35;1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(14-16-29(22,5)27(24)15-17-30(25,26)6)39-28(34)38-21(4)31(32,33)40(35,36)37;1-19(28(29,30)36(32,33)34)35-27(31)26-24(21-13-7-3-8-14-21)17-23(20-11-5-2-6-12-20)18-25(26)22-15-9-4-10-16-22;12-10(13,14)9(11(15,16)17,6-23(19,20)21)22-8(18)7-4-2-1-3-5-7;1-6(2,3)5(16)20-7(8(10,11)12,9(13,14)15)4-21(17,18)19;1-17(11,12)2(18(13,14)3(5,6)7)19(15,16)4(8,9)10;4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9;1-11(7,8)6-12(9,10)2(3,4)5/h17-19,21-23,28H,5-16H2,1-4H3,(H,39,40,41);10,19-21,23-27H,7-9,11-18H2,1-6H3,(H,35,36,37);17-22H,2-16H2,1H3,(H,32,33,34);7H,1-6H2,(H,19,20,21);4H2,1-3H3,(H,17,18,19);1H3;;1H3/q;;;;;3*-1/p-5
InChIKeyWEBZZVORTYRTRW-UHFFFAOYSA-I
MW3351.30 g/mol
LogP25.84
Rot. Bonds39

About 2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-(2,4,6-tricyclohexylbenzoyl)oxypropane-1-sulfonate;2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]-1,1-difluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[4-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]butanoyloxy]-1,1-difluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane

2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-(2,4,6-tricyclohexylbenzoyl)oxypropane-1-sulfonate;2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]-1,1-difluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[4-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]butanoyloxy]-1,1-difluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane (PubChem CID 161478932) has the molecular formula C119H161F33N2O45S12-8 and a molecular weight of 3351.30 g/mol. Its IUPAC name is 2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-(2,4,6-tricyclohexylbenzoyl)oxypropane-1-sulfonate;2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]-1,1-difluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[4-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]butanoyloxy]-1,1-difluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane.

Molecular Properties

Compound Name2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-(2,4,6-tricyclohexylbenzoyl)oxypropane-1-sulfonate;2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]-1,1-difluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[4-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]butanoyloxy]-1,1-difluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
PubChem CID161478932
Molecular FormulaC119H161F33N2O45S12-8
Molecular Weight3351.30 g/mol
Exact Mass3348.65
IUPAC Name2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-(2,4,6-tricyclohexylbenzoyl)oxypropane-1-sulfonate;2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]-1,1-difluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[4-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]butanoyloxy]-1,1-difluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
SMILESCC(C)(C)C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)OC(C)C(F)(F)S(=O)(=O)[O-])CCC4(C)C3CCC12C.CC(CCC(=O)OCCCC(=O)OC(C)C(F)(F)S(=O)(=O)[O-])C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C.CC(OC(=O)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1)C(F)(F)S(=O)(=O)[O-].CS(=O)(=O)[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C1CCCCC1.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C31H44F2O10S.C31H50F2O6S.C28H40F2O5S.C11H14F6O5S.C9H12F6O5S.C4H3F6O6S3.C3F6NO4S2.C2H3F3NO4S2/c1-17(7-10-26(37)42-13-5-6-27(38)43-18(2)31(32,33)44(39,40)41)21-8-9-22-28-23(16-25(36)30(21,22)4)29(3)12-11-20(34)14-19(29)15-24(28)35;1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(14-16-29(22,5)27(24)15-17-30(25,26)6)39-28(34)38-21(4)31(32,33)40(35,36)37;1-19(28(29,30)36(32,33)34)35-27(31)26-24(21-13-7-3-8-14-21)17-23(20-11-5-2-6-12-20)18-25(26)22-15-9-4-10-16-22;12-10(13,14)9(11(15,16)17,6-23(19,20)21)22-8(18)7-4-2-1-3-5-7;1-6(2,3)5(16)20-7(8(10,11)12,9(13,14)15)4-21(17,18)19;1-17(11,12)2(18(13,14)3(5,6)7)19(15,16)4(8,9)10;4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9;1-11(7,8)6-12(9,10)2(3,4)5/h17-19,21-23,28H,5-16H2,1-4H3,(H,39,40,41);10,19-21,23-27H,7-9,11-18H2,1-6H3,(H,35,36,37);17-22H,2-16H2,1H3,(H,32,33,34);7H,1-6H2,(H,19,20,21);4H2,1-3H3,(H,17,18,19);1H3;;1H3/q;;;;;3*-1/p-5
InChIKeyWEBZZVORTYRTRW-UHFFFAOYSA-I
XLogP25.84
TPSA771.42 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds39
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003351.30
LogP ≤ 525.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-(2,4,6-tricyclohexylbenzoyl)oxypropane-1-sulfonate;2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]-1,1-difluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[4-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]butanoyloxy]-1,1-difluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-(2,4,6-tricyclohexylbenzoyl)oxypropane-1-sulfonate;2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]-1,1-difluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[4-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]butanoyloxy]-1,1-difluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane?
The IUPAC name of 2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-(2,4,6-tricyclohexylbenzoyl)oxypropane-1-sulfonate;2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]-1,1-difluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[4-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]butanoyloxy]-1,1-difluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane (CID 161478932) is 2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-(2,4,6-tricyclohexylbenzoyl)oxypropane-1-sulfonate;2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]-1,1-difluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[4-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]butanoyloxy]-1,1-difluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane.
What is the SMILES notation for 2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-(2,4,6-tricyclohexylbenzoyl)oxypropane-1-sulfonate;2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]-1,1-difluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[4-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]butanoyloxy]-1,1-difluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane?
The canonical SMILES for 2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-(2,4,6-tricyclohexylbenzoyl)oxypropane-1-sulfonate;2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]-1,1-difluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[4-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]butanoyloxy]-1,1-difluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane is CC(C)(C)C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)OC(C)C(F)(F)S(=O)(=O)[O-])CCC4(C)C3CCC12C.CC(CCC(=O)OCCCC(=O)OC(C)C(F)(F)S(=O)(=O)[O-])C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C.CC(OC(=O)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1)C(F)(F)S(=O)(=O)[O-].CS(=O)(=O)[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C1CCCCC1.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-(2,4,6-tricyclohexylbenzoyl)oxypropane-1-sulfonate;2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]-1,1-difluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[4-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]butanoyloxy]-1,1-difluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane?
The InChIKey is WEBZZVORTYRTRW-UHFFFAOYSA-I. The full InChI is InChI=1S/C31H44F2O10S.C31H50F2O6S.C28H40F2O5S.C11H14F6O5S.C9H12F6O5S.C4H3F6O6S3.C3F6NO4S2.C2H3F3NO4S2/c1-17(7-10-26(37)42-13-5-6-27(38)43-18(2)31(32,33)44(39,40)41)21-8-9-22-28-23(16-25(36)30(21,22)4)29(3)12-11-20(34)14-19(29)15-24(28)35;1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(14-16-29(22,5)27(24)15-17-30(25,26)6)39-28(34)38-21(4)31(32,33)40(35,36)37;1-19(28(29,30)36(32,33)34)35-27(31)26-24(21-13-7-3-8-14-21)17-23(20-11-5-2-6-12-20)18-25(26)22-15-9-4-10-16-22;12-10(13,14)9(11(15,16)17,6-23(19,20)21)22-8(18)7-4-2-1-3-5-7;1-6(2,3)5(16)20-7(8(10,11)12,9(13,14)15)4-21(17,18)19;1-17(11,12)2(18(13,14)3(5,6)7)19(15,16)4(8,9)10;4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9;1-11(7,8)6-12(9,10)2(3,4)5/h17-19,21-23,28H,5-16H2,1-4H3,(H,39,40,41);10,19-21,23-27H,7-9,11-18H2,1-6H3,(H,35,36,37);17-22H,2-16H2,1H3,(H,32,33,34);7H,1-6H2,(H,19,20,21);4H2,1-3H3,(H,17,18,19);1H3;;1H3/q;;;;;3*-1/p-5.
What are the key properties of 2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-(2,4,6-tricyclohexylbenzoyl)oxypropane-1-sulfonate;2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]-1,1-difluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[4-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]butanoyloxy]-1,1-difluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane?
2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-(2,4,6-tricyclohexylbenzoyl)oxypropane-1-sulfonate;2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]-1,1-difluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[4-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]butanoyloxy]-1,1-difluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane has a molecular weight of 3351.30 g/mol, XLogP of 25.84, 39 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-(2,4,6-tricyclohexylbenzoyl)oxypropane-1-sulfonate;2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]-1,1-difluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[4-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]butanoyloxy]-1,1-difluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane is sourced from PubChem (CID 161478932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).