2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic 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;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis(2,4,6-tricyclohexylbenzenesulfonate);hexakis(triphenylsulfanium)

C252H276F23O35S16+5 — CID 159177672

About 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic 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;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis(2,4,6-tricyclohexylbenzenesulfonate);hexakis(triphenylsulfanium)

2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic 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;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis(2,4,6-tricyclohexylbenzenesulfonate);hexakis(triphenylsulfanium) (PubChem CID 159177672) has the molecular formula C252H276F23O35S16+5 and a molecular weight of 4814.97 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic 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;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis(2,4,6-tricyclohexylbenzenesulfonate);hexakis(triphenylsulfanium).

Molecular Properties

• Compound Name: 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic 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;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis(2,4,6-tricyclohexylbenzenesulfonate);hexakis(triphenylsulfanium)
• PubChem CID: 159177672
• Molecular Formula: C252H276F23O35S16+5
• Molecular Weight: 4814.97 g/mol
• Exact Mass: 4810.50
• IUPAC Name: 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic 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;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis(2,4,6-tricyclohexylbenzenesulfonate);hexakis(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.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)O)C12CC3CC(CC(C3)C1)C2.O=C(OC1C2CC3CC(C2)CC1C3)C(F)(F)S(=O)(=O)O.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)(O)C(F)(F)C(F)(F)C1CC2CCC1C2.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C27H36F6O6S2.2C24H36O3S.C21H21O3S.6C18H15S.C14H17F5O5S.C13H14F6O7S2.C12H16F2O5S.C9H12F4O3S/c28-25(29,26(30,31)40(34,35)36)27(32,33)41(37,38)39-24-22(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;2*25-28(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;6*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;13-12(14,20(16,17)18)11(15)19-10-8-2-6-1-7(4-8)5-9(10)3-6;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5/h16-20H,1-15H2,(H,34,35,36);2*16-20H,1-15H2,(H,25,26,27);2-13,22-23H,14-15H2,1H3;6*1-15H;7-10H,1-6H2,(H,21,22,23);4-7H,1-3H3,(H,20,21,22);6-10H,1-5H2,(H,16,17,18);5-7H,1-4H2,(H,14,15,16)/q;;;7*+1;;;;/p-2
• InChIKey: KMMGVZYMETVNKK-UHFFFAOYSA-L
• XLogP: 64.99
• TPSA: 584.51 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 58
• Heavy Atoms: 326
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4814.97
LogP ≤ 5	64.99
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic 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;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis(2,4,6-tricyclohexylbenzenesulfonate);hexakis(triphenylsulfanium)?

The IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic 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;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis(2,4,6-tricyclohexylbenzenesulfonate);hexakis(triphenylsulfanium) (CID 159177672) is 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic 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;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis(2,4,6-tricyclohexylbenzenesulfonate);hexakis(triphenylsulfanium).

What is the SMILES notation for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic 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;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis(2,4,6-tricyclohexylbenzenesulfonate);hexakis(triphenylsulfanium)?

The canonical SMILES for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic 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;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis(2,4,6-tricyclohexylbenzenesulfonate);hexakis(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.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)O)C12CC3CC(CC(C3)C1)C2.O=C(OC1C2CC3CC(C2)CC1C3)C(F)(F)S(=O)(=O)O.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)(O)C(F)(F)C(F)(F)C1CC2CCC1C2.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.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.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;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic 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;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis(2,4,6-tricyclohexylbenzenesulfonate);hexakis(triphenylsulfanium)?

The InChIKey is KMMGVZYMETVNKK-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H36F6O6S2.2C24H36O3S.C21H21O3S.6C18H15S.C14H17F5O5S.C13H14F6O7S2.C12H16F2O5S.C9H12F4O3S/c28-25(29,26(30,31)40(34,35)36)27(32,33)41(37,38)39-24-22(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;2*25-28(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;6*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;13-12(14,20(16,17)18)11(15)19-10-8-2-6-1-7(4-8)5-9(10)3-6;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5/h16-20H,1-15H2,(H,34,35,36);2*16-20H,1-15H2,(H,25,26,27);2-13,22-23H,14-15H2,1H3;6*1-15H;7-10H,1-6H2,(H,21,22,23);4-7H,1-3H3,(H,20,21,22);6-10H,1-5H2,(H,16,17,18);5-7H,1-4H2,(H,14,15,16)/q;;;7*+1;;;;/p-2.

What are the key properties of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic 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;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis(2,4,6-tricyclohexylbenzenesulfonate);hexakis(triphenylsulfanium)?

2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic 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;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis(2,4,6-tricyclohexylbenzenesulfonate);hexakis(triphenylsulfanium) has a molecular weight of 4814.97 g/mol, XLogP of 64.99, 58 rotatable bonds, 7 hydrogen bond donors, and 30 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;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic 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;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis(2,4,6-tricyclohexylbenzenesulfonate);hexakis(triphenylsulfanium) is sourced from PubChem (CID 159177672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).