bis(2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate);bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;(4-tert-butylphenyl)-diphenylsulfanium;2,2-difluorobutane-1-sulfonate;1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trifluoromethylsulfonylazanide;pentakis(triphenylsulfanium)

C167H151F40N2O31S18- — CID 159646650

About bis(2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate);bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;(4-tert-butylphenyl)-diphenylsulfanium;2,2-difluorobutane-1-sulfonate;1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trifluoromethylsulfonylazanide;pentakis(triphenylsulfanium)

bis(2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate);bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;(4-tert-butylphenyl)-diphenylsulfanium;2,2-difluorobutane-1-sulfonate;1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trifluoromethylsulfonylazanide;pentakis(triphenylsulfanium) (PubChem CID 159646650) has the molecular formula C167H151F40N2O31S18- and a molecular weight of 4019.15 g/mol. Its IUPAC name is bis(2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate);bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;(4-tert-butylphenyl)-diphenylsulfanium;2,2-difluorobutane-1-sulfonate;1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trifluoromethylsulfonylazanide;pentakis(triphenylsulfanium).

Molecular Properties

• Compound Name: bis(2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate);bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;(4-tert-butylphenyl)-diphenylsulfanium;2,2-difluorobutane-1-sulfonate;1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trifluoromethylsulfonylazanide;pentakis(triphenylsulfanium)
• PubChem CID: 159646650
• Molecular Formula: C167H151F40N2O31S18-
• Molecular Weight: 4019.15 g/mol
• Exact Mass: 4015.46
• IUPAC Name: bis(2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate);bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;(4-tert-butylphenyl)-diphenylsulfanium;2,2-difluorobutane-1-sulfonate;1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trifluoromethylsulfonylazanide;pentakis(triphenylsulfanium)
• SMILES: CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCC(F)(F)CS(=O)(=O)[O-].O=C(C[S+]1CCCC1)c1ccccc1.O=C(OC1C2CC3CC(C2)CC1C3)C(F)(F)S(=O)(=O)[O-].O=C(OC1C2CC3CC(C2)CC1C3)C(F)(F)S(=O)(=O)[O-].O=S(=O)([C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)F.O=S([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.[NH-]S(=O)(=O)C(F)(F)F.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/C22H23S.5C18H15S.2C12H16F2O5S.C12H15OS.C4F9O6S3.C4HF9O2S.C4H8F2O3S.C3HF7O3S.C3F6NO4S2.CHF3NO2S/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*13-12(14,20(16,17)18)11(15)19-10-8-2-6-1-7(4-8)5-9(10)3-6;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;5-2(6,7)20(14,15)1(21(16,17)3(8,9)10)22(18,19)4(11,12)13;5-1(6,3(9,10)11)2(7,8)4(12,13)16(14)15;1-2-4(5,6)3-10(7,8)9;4-1(5,2(6,7)8)3(9,10)14(11,12)13;4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9;2-1(3,4)8(5,6)7/h4-17H,1-3H3;5*1-15H;2*6-10H,1-5H2,(H,16,17,18);1-3,6-7H,4-5,8-10H2;;(H,14,15);2-3H2,1H3,(H,7,8,9);(H,11,12,13);;(H-,5,6,7)/q6*+1;;;+1;-1;;;;2*-1/p-5
• InChIKey: ZHMNBFBHAULFAY-UHFFFAOYSA-I
• XLogP: 42.43
• TPSA: 581.34 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 38
• Heavy Atoms: 258
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4019.15
LogP ≤ 5	42.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of bis(2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate);bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;(4-tert-butylphenyl)-diphenylsulfanium;2,2-difluorobutane-1-sulfonate;1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trifluoromethylsulfonylazanide;pentakis(triphenylsulfanium)?

The IUPAC name of bis(2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate);bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;(4-tert-butylphenyl)-diphenylsulfanium;2,2-difluorobutane-1-sulfonate;1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trifluoromethylsulfonylazanide;pentakis(triphenylsulfanium) (CID 159646650) is bis(2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate);bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;(4-tert-butylphenyl)-diphenylsulfanium;2,2-difluorobutane-1-sulfonate;1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trifluoromethylsulfonylazanide;pentakis(triphenylsulfanium).

What is the SMILES notation for bis(2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate);bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;(4-tert-butylphenyl)-diphenylsulfanium;2,2-difluorobutane-1-sulfonate;1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trifluoromethylsulfonylazanide;pentakis(triphenylsulfanium)?

The canonical SMILES for bis(2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate);bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;(4-tert-butylphenyl)-diphenylsulfanium;2,2-difluorobutane-1-sulfonate;1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trifluoromethylsulfonylazanide;pentakis(triphenylsulfanium) is CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCC(F)(F)CS(=O)(=O)[O-].O=C(C[S+]1CCCC1)c1ccccc1.O=C(OC1C2CC3CC(C2)CC1C3)C(F)(F)S(=O)(=O)[O-].O=C(OC1C2CC3CC(C2)CC1C3)C(F)(F)S(=O)(=O)[O-].O=S(=O)([C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)F.O=S([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.[NH-]S(=O)(=O)C(F)(F)F.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 bis(2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate);bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;(4-tert-butylphenyl)-diphenylsulfanium;2,2-difluorobutane-1-sulfonate;1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trifluoromethylsulfonylazanide;pentakis(triphenylsulfanium)?

The InChIKey is ZHMNBFBHAULFAY-UHFFFAOYSA-I. The full InChI is InChI=1S/C22H23S.5C18H15S.2C12H16F2O5S.C12H15OS.C4F9O6S3.C4HF9O2S.C4H8F2O3S.C3HF7O3S.C3F6NO4S2.CHF3NO2S/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*13-12(14,20(16,17)18)11(15)19-10-8-2-6-1-7(4-8)5-9(10)3-6;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;5-2(6,7)20(14,15)1(21(16,17)3(8,9)10)22(18,19)4(11,12)13;5-1(6,3(9,10)11)2(7,8)4(12,13)16(14)15;1-2-4(5,6)3-10(7,8)9;4-1(5,2(6,7)8)3(9,10)14(11,12)13;4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9;2-1(3,4)8(5,6)7/h4-17H,1-3H3;5*1-15H;2*6-10H,1-5H2,(H,16,17,18);1-3,6-7H,4-5,8-10H2;;(H,14,15);2-3H2,1H3,(H,7,8,9);(H,11,12,13);;(H-,5,6,7)/q6*+1;;;+1;-1;;;;2*-1/p-5.

What are the key properties of bis(2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate);bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;(4-tert-butylphenyl)-diphenylsulfanium;2,2-difluorobutane-1-sulfonate;1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trifluoromethylsulfonylazanide;pentakis(triphenylsulfanium)?

bis(2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate);bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;(4-tert-butylphenyl)-diphenylsulfanium;2,2-difluorobutane-1-sulfonate;1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trifluoromethylsulfonylazanide;pentakis(triphenylsulfanium) has a molecular weight of 4019.15 g/mol, XLogP of 42.43, 38 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate);bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;(4-tert-butylphenyl)-diphenylsulfanium;2,2-difluorobutane-1-sulfonate;1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trifluoromethylsulfonylazanide;pentakis(triphenylsulfanium) is sourced from PubChem (CID 159646650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).