2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;3-(1-adamantyloxy)-1,1-difluoro-3-oxopropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;1,1,2,2,3,3-hexafluoro-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]sulfonylpropane-1-sulfonic acid;(4-methylphenyl)-diphenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium)

C167H179F17O26S11+4 — CID 159390786

About 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;3-(1-adamantyloxy)-1,1-difluoro-3-oxopropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;1,1,2,2,3,3-hexafluoro-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]sulfonylpropane-1-sulfonic acid;(4-methylphenyl)-diphenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium)

2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;3-(1-adamantyloxy)-1,1-difluoro-3-oxopropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;1,1,2,2,3,3-hexafluoro-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]sulfonylpropane-1-sulfonic acid;(4-methylphenyl)-diphenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium) (PubChem CID 159390786) has the molecular formula C167H179F17O26S11+4 and a molecular weight of 3277.95 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;3-(1-adamantyloxy)-1,1-difluoro-3-oxopropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;1,1,2,2,3,3-hexafluoro-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]sulfonylpropane-1-sulfonic acid;(4-methylphenyl)-diphenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium).

Molecular Properties

• Compound Name: 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;3-(1-adamantyloxy)-1,1-difluoro-3-oxopropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;1,1,2,2,3,3-hexafluoro-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]sulfonylpropane-1-sulfonic acid;(4-methylphenyl)-diphenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium)
• PubChem CID: 159390786
• Molecular Formula: C167H179F17O26S11+4
• Molecular Weight: 3277.95 g/mol
• Exact Mass: 3274.93
• IUPAC Name: 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;3-(1-adamantyloxy)-1,1-difluoro-3-oxopropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;1,1,2,2,3,3-hexafluoro-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]sulfonylpropane-1-sulfonic acid;(4-methylphenyl)-diphenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium)
• SMILES: CC(C)(C)Oc1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O)cc1.COc1cccc([S+](c2cccc(CO)c2)c2cccc(CO)c2)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(CC(F)(F)S(=O)(=O)O)OC12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)O)C12CC3CC(CC(C3)C1)C2.O=S(=O)(O)C(F)(F)C(F)(F)C1CC2CCC1C2.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C24H36O3S.C21H21O3S.C19H17S.3C18H15S.C14H17F5O5S.C13H14F6O7S2.C13H18F2O5S.C9H12F4O3S/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;1-24-18-7-4-10-21(13-18)25(19-8-2-5-16(11-19)14-22)20-9-3-6-17(12-20)15-23;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-13(16,17)10(14(18,19)25(21,22)23)24-11(20)12-4-7-1-8(5-12)3-9(2-7)6-12;1-10(2,3)25-8-4-6-9(7-5-8)26-28(23,24)13(18,19)11(14,15)12(16,17)27(20,21)22;14-13(15,21(17,18)19)7-11(16)20-12-4-8-1-9(5-12)3-10(2-8)6-12;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5/h16-20H,1-15H2,(H,25,26,27);2-13,22-23H,14-15H2,1H3;2-15H,1H3;3*1-15H;7-10H,1-6H2,(H,21,22,23);4-7H,1-3H3,(H,20,21,22);8-10H,1-7H2,(H,17,18,19);5-7H,1-4H2,(H,14,15,16)/q;5*+1;;;;/p-1
• InChIKey: LMBVDXVHLVUQOL-UHFFFAOYSA-M
• XLogP: 41.29
• TPSA: 429.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 40
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3277.95
LogP ≤ 5	41.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;3-(1-adamantyloxy)-1,1-difluoro-3-oxopropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;1,1,2,2,3,3-hexafluoro-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]sulfonylpropane-1-sulfonic acid;(4-methylphenyl)-diphenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium)?

The IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;3-(1-adamantyloxy)-1,1-difluoro-3-oxopropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;1,1,2,2,3,3-hexafluoro-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]sulfonylpropane-1-sulfonic acid;(4-methylphenyl)-diphenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium) (CID 159390786) is 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;3-(1-adamantyloxy)-1,1-difluoro-3-oxopropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;1,1,2,2,3,3-hexafluoro-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]sulfonylpropane-1-sulfonic acid;(4-methylphenyl)-diphenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium).

What is the SMILES notation for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;3-(1-adamantyloxy)-1,1-difluoro-3-oxopropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;1,1,2,2,3,3-hexafluoro-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]sulfonylpropane-1-sulfonic acid;(4-methylphenyl)-diphenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium)?

The canonical SMILES for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;3-(1-adamantyloxy)-1,1-difluoro-3-oxopropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;1,1,2,2,3,3-hexafluoro-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]sulfonylpropane-1-sulfonic acid;(4-methylphenyl)-diphenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium) is CC(C)(C)Oc1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O)cc1.COc1cccc([S+](c2cccc(CO)c2)c2cccc(CO)c2)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(CC(F)(F)S(=O)(=O)O)OC12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)O)C12CC3CC(CC(C3)C1)C2.O=S(=O)(O)C(F)(F)C(F)(F)C1CC2CCC1C2.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;3-(1-adamantyloxy)-1,1-difluoro-3-oxopropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;1,1,2,2,3,3-hexafluoro-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]sulfonylpropane-1-sulfonic acid;(4-methylphenyl)-diphenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium)?

The InChIKey is LMBVDXVHLVUQOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H36O3S.C21H21O3S.C19H17S.3C18H15S.C14H17F5O5S.C13H14F6O7S2.C13H18F2O5S.C9H12F4O3S/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;1-24-18-7-4-10-21(13-18)25(19-8-2-5-16(11-19)14-22)20-9-3-6-17(12-20)15-23;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-13(16,17)10(14(18,19)25(21,22)23)24-11(20)12-4-7-1-8(5-12)3-9(2-7)6-12;1-10(2,3)25-8-4-6-9(7-5-8)26-28(23,24)13(18,19)11(14,15)12(16,17)27(20,21)22;14-13(15,21(17,18)19)7-11(16)20-12-4-8-1-9(5-12)3-10(2-8)6-12;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5/h16-20H,1-15H2,(H,25,26,27);2-13,22-23H,14-15H2,1H3;2-15H,1H3;3*1-15H;7-10H,1-6H2,(H,21,22,23);4-7H,1-3H3,(H,20,21,22);8-10H,1-7H2,(H,17,18,19);5-7H,1-4H2,(H,14,15,16)/q;5*+1;;;;/p-1.

What are the key properties of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;3-(1-adamantyloxy)-1,1-difluoro-3-oxopropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;1,1,2,2,3,3-hexafluoro-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]sulfonylpropane-1-sulfonic acid;(4-methylphenyl)-diphenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium)?

2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;3-(1-adamantyloxy)-1,1-difluoro-3-oxopropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;1,1,2,2,3,3-hexafluoro-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]sulfonylpropane-1-sulfonic acid;(4-methylphenyl)-diphenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium) has a molecular weight of 3277.95 g/mol, XLogP of 41.29, 40 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;3-(1-adamantyloxy)-1,1-difluoro-3-oxopropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;1,1,2,2,3,3-hexafluoro-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]sulfonylpropane-1-sulfonic acid;(4-methylphenyl)-diphenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium) is sourced from PubChem (CID 159390786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).