2-[2-(adamantane-1-carbonyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;bis(4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;[4-(benzenesulfonyl)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethanesulfonate);1,1-difluoro-2-oxo-2-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]ethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate;pentakis(triphenylsulfanium)

C247H251F23O52S18 — CID 158628049

About 2-[2-(adamantane-1-carbonyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;bis(4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;[4-(benzenesulfonyl)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethanesulfonate);1,1-difluoro-2-oxo-2-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]ethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate;pentakis(triphenylsulfanium)

2-[2-(adamantane-1-carbonyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;bis(4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;[4-(benzenesulfonyl)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethanesulfonate);1,1-difluoro-2-oxo-2-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]ethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate;pentakis(triphenylsulfanium) (PubChem CID 158628049) has the molecular formula C247H251F23O52S18 and a molecular weight of 5065.83 g/mol. Its IUPAC name is 2-[2-(adamantane-1-carbonyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;bis(4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;[4-(benzenesulfonyl)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethanesulfonate);1,1-difluoro-2-oxo-2-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]ethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate;pentakis(triphenylsulfanium).

Molecular Properties

• Compound Name: 2-[2-(adamantane-1-carbonyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;bis(4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;[4-(benzenesulfonyl)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethanesulfonate);1,1-difluoro-2-oxo-2-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]ethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate;pentakis(triphenylsulfanium)
• PubChem CID: 158628049
• Molecular Formula: C247H251F23O52S18
• Molecular Weight: 5065.83 g/mol
• Exact Mass: 5061.16
• IUPAC Name: 2-[2-(adamantane-1-carbonyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;bis(4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;[4-(benzenesulfonyl)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethanesulfonate);1,1-difluoro-2-oxo-2-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]ethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate;pentakis(triphenylsulfanium)
• SMILES: CC(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.O=C(OC1C2CC3C1OS(=O)(=O)C3C2)C(F)(F)S(=O)(=O)[O-].O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCOC(=O)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCOc1c(F)c(F)c(F)c(F)c1F)C(F)(F)S(=O)(=O)[O-].O=C1OC2C3CC(CC13)C2OC(=O)C(F)(F)S(=O)(=O)[O-].O=C1OC2C3CC(CC13)C2OC(=O)C(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(F)CC12CC3CC(CC(C3)C1)C2.O=S(=O)(c1ccccc1)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/C24H19O2S2.C19H27OS.C18H23OS.5C18H15S.2C15H21F3O5S.C15H20F2O7S.C12H18F2O3S.C10H5F7O6S.2C10H10F2O7S.C9H10F2O8S2/c25-28(26,23-14-8-3-9-15-23)24-18-16-22(17-19-24)27(20-10-4-1-5-11-20)21-12-6-2-7-13-21;1-15(21-13-5-6-14-21)19(20)18-11-9-17(10-12-18)16-7-3-2-4-8-16;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*16-12(15(17,18)24(20,21)22)1-2-23-13(19)14-6-9-3-10(7-14)5-11(4-9)8-14;16-15(17,25(20,21)22)13(19)24-2-1-23-12(18)14-6-9-3-10(7-14)5-11(4-9)8-14;13-12(14,18(15,16)17)7-11-4-8-1-9(5-11)3-10(2-8)6-11;11-3-4(12)6(14)8(7(15)5(3)13)22-1-2-23-9(18)10(16,17)24(19,20)21;2*11-10(12,20(15,16)17)9(14)19-6-3-1-4-5(2-3)8(13)18-7(4)6;10-9(11,21(15,16)17)8(12)18-6-3-1-4-5(2-3)20(13,14)19-7(4)6/h1-19H;9-12,15-16H,2-8,13-14H2,1H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;5*1-15H;2*9-12H,1-8H2,(H,20,21,22);9-11H,1-8H2,(H,20,21,22);8-10H,1-7H2,(H,15,16,17);1-2H2,(H,19,20,21);2*3-7H,1-2H2,(H,15,16,17);3-7H,1-2H2,(H,15,16,17)/q8*+1;;;;;;;;/p-8
• InChIKey: HYVMMXNSCXWILZ-UHFFFAOYSA-F
• XLogP: 48.27
• TPSA: 833.64 Ų
• H-Bond Acceptors: 52
• Rotatable Bonds: 65
• Heavy Atoms: 340
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5065.83
LogP ≤ 5	48.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of 2-[2-(adamantane-1-carbonyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;bis(4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;[4-(benzenesulfonyl)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethanesulfonate);1,1-difluoro-2-oxo-2-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]ethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate;pentakis(triphenylsulfanium)?

The IUPAC name of 2-[2-(adamantane-1-carbonyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;bis(4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;[4-(benzenesulfonyl)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethanesulfonate);1,1-difluoro-2-oxo-2-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]ethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate;pentakis(triphenylsulfanium) (CID 158628049) is 2-[2-(adamantane-1-carbonyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;bis(4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;[4-(benzenesulfonyl)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethanesulfonate);1,1-difluoro-2-oxo-2-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]ethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate;pentakis(triphenylsulfanium).

What is the SMILES notation for 2-[2-(adamantane-1-carbonyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;bis(4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;[4-(benzenesulfonyl)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethanesulfonate);1,1-difluoro-2-oxo-2-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]ethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate;pentakis(triphenylsulfanium)?

The canonical SMILES for 2-[2-(adamantane-1-carbonyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;bis(4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;[4-(benzenesulfonyl)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethanesulfonate);1,1-difluoro-2-oxo-2-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]ethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate;pentakis(triphenylsulfanium) is CC(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.O=C(OC1C2CC3C1OS(=O)(=O)C3C2)C(F)(F)S(=O)(=O)[O-].O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCOC(=O)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCOc1c(F)c(F)c(F)c(F)c1F)C(F)(F)S(=O)(=O)[O-].O=C1OC2C3CC(CC13)C2OC(=O)C(F)(F)S(=O)(=O)[O-].O=C1OC2C3CC(CC13)C2OC(=O)C(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(F)CC12CC3CC(CC(C3)C1)C2.O=S(=O)(c1ccccc1)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-[2-(adamantane-1-carbonyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;bis(4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;[4-(benzenesulfonyl)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethanesulfonate);1,1-difluoro-2-oxo-2-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]ethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate;pentakis(triphenylsulfanium)?

The InChIKey is HYVMMXNSCXWILZ-UHFFFAOYSA-F. The full InChI is InChI=1S/C24H19O2S2.C19H27OS.C18H23OS.5C18H15S.2C15H21F3O5S.C15H20F2O7S.C12H18F2O3S.C10H5F7O6S.2C10H10F2O7S.C9H10F2O8S2/c25-28(26,23-14-8-3-9-15-23)24-18-16-22(17-19-24)27(20-10-4-1-5-11-20)21-12-6-2-7-13-21;1-15(21-13-5-6-14-21)19(20)18-11-9-17(10-12-18)16-7-3-2-4-8-16;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*16-12(15(17,18)24(20,21)22)1-2-23-13(19)14-6-9-3-10(7-14)5-11(4-9)8-14;16-15(17,25(20,21)22)13(19)24-2-1-23-12(18)14-6-9-3-10(7-14)5-11(4-9)8-14;13-12(14,18(15,16)17)7-11-4-8-1-9(5-11)3-10(2-8)6-11;11-3-4(12)6(14)8(7(15)5(3)13)22-1-2-23-9(18)10(16,17)24(19,20)21;2*11-10(12,20(15,16)17)9(14)19-6-3-1-4-5(2-3)8(13)18-7(4)6;10-9(11,21(15,16)17)8(12)18-6-3-1-4-5(2-3)20(13,14)19-7(4)6/h1-19H;9-12,15-16H,2-8,13-14H2,1H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;5*1-15H;2*9-12H,1-8H2,(H,20,21,22);9-11H,1-8H2,(H,20,21,22);8-10H,1-7H2,(H,15,16,17);1-2H2,(H,19,20,21);2*3-7H,1-2H2,(H,15,16,17);3-7H,1-2H2,(H,15,16,17)/q8*+1;;;;;;;;/p-8.

What are the key properties of 2-[2-(adamantane-1-carbonyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;bis(4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;[4-(benzenesulfonyl)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethanesulfonate);1,1-difluoro-2-oxo-2-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]ethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate;pentakis(triphenylsulfanium)?

2-[2-(adamantane-1-carbonyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;bis(4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;[4-(benzenesulfonyl)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethanesulfonate);1,1-difluoro-2-oxo-2-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]ethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate;pentakis(triphenylsulfanium) has a molecular weight of 5065.83 g/mol, XLogP of 48.27, 65 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(adamantane-1-carbonyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;bis(4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;[4-(benzenesulfonyl)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethanesulfonate);1,1-difluoro-2-oxo-2-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]ethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate;pentakis(triphenylsulfanium) is sourced from PubChem (CID 158628049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).