2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium

C198H199F25O36S14 — CID 158211546

About 2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium

2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium (PubChem CID 158211546) has the molecular formula C198H199F25O36S14 and a molecular weight of 4078.62 g/mol. Its IUPAC name is 2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium.

Molecular Properties

• Compound Name: 2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium
• PubChem CID: 158211546
• Molecular Formula: C198H199F25O36S14
• Molecular Weight: 4078.62 g/mol
• Exact Mass: 4074.94
• IUPAC Name: 2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium
• SMILES: CC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc(C)cc([S+](c2ccccc2)c2ccccc2)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C22H17S.C22H23S.C20H19S.C19H17S.2C18H14FS.C18H14OS.2C14H17F5O5S.4C7H12F2O5S.C5H5F5O5S/c1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-16-13-17(2)15-20(14-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;3*19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;2*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;4*1-6(2,3)5(10)14-4-7(8,9)15(11,12)13;1-2(11)15-3(4(6,7)8)5(9,10)16(12,13)14/h1-17H;4-17H,1-3H3;3-15H,1-2H3;2-15H,1H3;3*1-14H;2*7-10H,1-6H2,(H,21,22,23);4*4H2,1-3H3,(H,11,12,13);3H,1H3,(H,12,13,14)/q6*+1;;;;;;;;/p-6
• InChIKey: GCDHGOGLLSDAAF-UHFFFAOYSA-H
• XLogP: 45.94
• TPSA: 604.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 36
• Rotatable Bonds: 44
• Heavy Atoms: 273
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4078.62
LogP ≤ 5	45.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium?

The IUPAC name of 2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium (CID 158211546) is 2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium.

What is the SMILES notation for 2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium?

The canonical SMILES for 2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium is CC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc(C)cc([S+](c2ccccc2)c2ccccc2)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2cccc3ccccc23)cc1.

What is the InChIKey of 2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium?

The InChIKey is GCDHGOGLLSDAAF-UHFFFAOYSA-H. The full InChI is InChI=1S/C22H17S.C22H23S.C20H19S.C19H17S.2C18H14FS.C18H14OS.2C14H17F5O5S.4C7H12F2O5S.C5H5F5O5S/c1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-16-13-17(2)15-20(14-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;3*19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;2*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;4*1-6(2,3)5(10)14-4-7(8,9)15(11,12)13;1-2(11)15-3(4(6,7)8)5(9,10)16(12,13)14/h1-17H;4-17H,1-3H3;3-15H,1-2H3;2-15H,1H3;3*1-14H;2*7-10H,1-6H2,(H,21,22,23);4*4H2,1-3H3,(H,11,12,13);3H,1H3,(H,12,13,14)/q6*+1;;;;;;;;/p-6.

What are the key properties of 2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium?

2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium has a molecular weight of 4078.62 g/mol, XLogP of 45.94, 44 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium is sourced from PubChem (CID 158211546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).