2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;bis((4-methylphenyl)-diphenylsulfanium);1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,2,2,3,3,4,4-nonafluoropentane;2,4,6-tricyclohexylbenzenesulfonate;2,3,3-trifluorobutyl pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-carboxylate;tetrakis(triphenylsulfanium)

C218H227F35N2O19S12+4 — CID 159922059

About 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;bis((4-methylphenyl)-diphenylsulfanium);1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,2,2,3,3,4,4-nonafluoropentane;2,4,6-tricyclohexylbenzenesulfonate;2,3,3-trifluorobutyl pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-carboxylate;tetrakis(triphenylsulfanium)

2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;bis((4-methylphenyl)-diphenylsulfanium);1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,2,2,3,3,4,4-nonafluoropentane;2,4,6-tricyclohexylbenzenesulfonate;2,3,3-trifluorobutyl pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-carboxylate;tetrakis(triphenylsulfanium) (PubChem CID 159922059) has the molecular formula C218H227F35N2O19S12+4 and a molecular weight of 4228.94 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;bis((4-methylphenyl)-diphenylsulfanium);1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,2,2,3,3,4,4-nonafluoropentane;2,4,6-tricyclohexylbenzenesulfonate;2,3,3-trifluorobutyl pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-carboxylate;tetrakis(triphenylsulfanium).

Molecular Properties

• Compound Name: 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;bis((4-methylphenyl)-diphenylsulfanium);1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,2,2,3,3,4,4-nonafluoropentane;2,4,6-tricyclohexylbenzenesulfonate;2,3,3-trifluorobutyl pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-carboxylate;tetrakis(triphenylsulfanium)
• PubChem CID: 159922059
• Molecular Formula: C218H227F35N2O19S12+4
• Molecular Weight: 4228.94 g/mol
• Exact Mass: 4225.29
• IUPAC Name: 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;bis((4-methylphenyl)-diphenylsulfanium);1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,2,2,3,3,4,4-nonafluoropentane;2,4,6-tricyclohexylbenzenesulfonate;2,3,3-trifluorobutyl pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-carboxylate;tetrakis(triphenylsulfanium)
• SMILES: CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1.CC(F)(F)C(F)COC(=O)C12CC3CC4C5CC(CC41)CC2C5C3.COc1ccc([S+](c2ccc(C)cc2)c2ccc(OC)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C24H36O3S.C21H21O2S.C19H25F3O2.2C19H17S.4C18H15S.C13H19F6NO2S.C13H18F2O5S.C9H13F6NO2S.C5H3F9.C4HF9O3S/c25-28(26,27)24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;1-16-4-10-19(11-5-16)24(20-12-6-17(22-2)7-13-20)21-14-8-18(23-3)9-15-21;1-18(21,22)16(20)8-24-17(23)19-7-10-3-12-11-2-9(5-14(12)19)6-15(19)13(11)4-10;2*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11(14,15)12(16,17)13(18,19)23(21,22)20-7-6-9-4-2-3-5-10(9)8-20;14-13(15,21(17,18)19)7-20-11(16)12-4-8-1-9(5-12)3-10(2-8)6-12;1-7(10,11)8(12,13)9(14,15)19(17,18)16-5-3-2-4-6-16;1-2(6,7)3(8,9)4(10,11)5(12,13)14;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h16-20H,1-15H2,(H,25,26,27);4-15H,1-3H3;9-16H,2-8H2,1H3;2*2-15H,1H3;4*1-15H;9-10H,2-8H2,1H3;8-10H,1-7H2,(H,17,18,19);2-6H2,1H3;1H3;(H,14,15,16)/q;+1;;6*+1;;;;;/p-3
• InChIKey: NYNJCTZDBOAYTH-UHFFFAOYSA-K
• XLogP: 59.09
• TPSA: 317.42 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 48
• Heavy Atoms: 286
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4228.94
LogP ≤ 5	59.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;bis((4-methylphenyl)-diphenylsulfanium);1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,2,2,3,3,4,4-nonafluoropentane;2,4,6-tricyclohexylbenzenesulfonate;2,3,3-trifluorobutyl pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-carboxylate;tetrakis(triphenylsulfanium)?

The IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;bis((4-methylphenyl)-diphenylsulfanium);1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,2,2,3,3,4,4-nonafluoropentane;2,4,6-tricyclohexylbenzenesulfonate;2,3,3-trifluorobutyl pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-carboxylate;tetrakis(triphenylsulfanium) (CID 159922059) is 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;bis((4-methylphenyl)-diphenylsulfanium);1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,2,2,3,3,4,4-nonafluoropentane;2,4,6-tricyclohexylbenzenesulfonate;2,3,3-trifluorobutyl pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-carboxylate;tetrakis(triphenylsulfanium).

What is the SMILES notation for 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;bis((4-methylphenyl)-diphenylsulfanium);1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,2,2,3,3,4,4-nonafluoropentane;2,4,6-tricyclohexylbenzenesulfonate;2,3,3-trifluorobutyl pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-carboxylate;tetrakis(triphenylsulfanium)?

The canonical SMILES for 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;bis((4-methylphenyl)-diphenylsulfanium);1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,2,2,3,3,4,4-nonafluoropentane;2,4,6-tricyclohexylbenzenesulfonate;2,3,3-trifluorobutyl pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-carboxylate;tetrakis(triphenylsulfanium) is CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1.CC(F)(F)C(F)COC(=O)C12CC3CC4C5CC(CC41)CC2C5C3.COc1ccc([S+](c2ccc(C)cc2)c2ccc(OC)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;bis((4-methylphenyl)-diphenylsulfanium);1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,2,2,3,3,4,4-nonafluoropentane;2,4,6-tricyclohexylbenzenesulfonate;2,3,3-trifluorobutyl pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-carboxylate;tetrakis(triphenylsulfanium)?

The InChIKey is NYNJCTZDBOAYTH-UHFFFAOYSA-K. The full InChI is InChI=1S/C24H36O3S.C21H21O2S.C19H25F3O2.2C19H17S.4C18H15S.C13H19F6NO2S.C13H18F2O5S.C9H13F6NO2S.C5H3F9.C4HF9O3S/c25-28(26,27)24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;1-16-4-10-19(11-5-16)24(20-12-6-17(22-2)7-13-20)21-14-8-18(23-3)9-15-21;1-18(21,22)16(20)8-24-17(23)19-7-10-3-12-11-2-9(5-14(12)19)6-15(19)13(11)4-10;2*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11(14,15)12(16,17)13(18,19)23(21,22)20-7-6-9-4-2-3-5-10(9)8-20;14-13(15,21(17,18)19)7-20-11(16)12-4-8-1-9(5-12)3-10(2-8)6-12;1-7(10,11)8(12,13)9(14,15)19(17,18)16-5-3-2-4-6-16;1-2(6,7)3(8,9)4(10,11)5(12,13)14;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h16-20H,1-15H2,(H,25,26,27);4-15H,1-3H3;9-16H,2-8H2,1H3;2*2-15H,1H3;4*1-15H;9-10H,2-8H2,1H3;8-10H,1-7H2,(H,17,18,19);2-6H2,1H3;1H3;(H,14,15,16)/q;+1;;6*+1;;;;;/p-3.

What are the key properties of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;bis((4-methylphenyl)-diphenylsulfanium);1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,2,2,3,3,4,4-nonafluoropentane;2,4,6-tricyclohexylbenzenesulfonate;2,3,3-trifluorobutyl pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-carboxylate;tetrakis(triphenylsulfanium)?

2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;bis((4-methylphenyl)-diphenylsulfanium);1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,2,2,3,3,4,4-nonafluoropentane;2,4,6-tricyclohexylbenzenesulfonate;2,3,3-trifluorobutyl pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-carboxylate;tetrakis(triphenylsulfanium) has a molecular weight of 4228.94 g/mol, XLogP of 59.09, 48 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;bis((4-methylphenyl)-diphenylsulfanium);1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,2,2,3,3,4,4-nonafluoropentane;2,4,6-tricyclohexylbenzenesulfonate;2,3,3-trifluorobutyl pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-carboxylate;tetrakis(triphenylsulfanium) is sourced from PubChem (CID 159922059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).