1-butoxy-4,4,5,5,6,6,7,7-octafluorooctane;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;bis(1-(2,2-difluoropropylsulfonylmethyl)bicyclo[2.2.1]heptane);3,3,4,4,5,5-hexafluorohexylcyclohexane;methane;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;triphenylsulfanium

C139H193F26O10S7+5 — CID 158559687

About 1-butoxy-4,4,5,5,6,6,7,7-octafluorooctane;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;bis(1-(2,2-difluoropropylsulfonylmethyl)bicyclo[2.2.1]heptane);3,3,4,4,5,5-hexafluorohexylcyclohexane;methane;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;triphenylsulfanium

1-butoxy-4,4,5,5,6,6,7,7-octafluorooctane;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;bis(1-(2,2-difluoropropylsulfonylmethyl)bicyclo[2.2.1]heptane);3,3,4,4,5,5-hexafluorohexylcyclohexane;methane;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;triphenylsulfanium (PubChem CID 158559687) has the molecular formula C139H193F26O10S7+5 and a molecular weight of 2742.48 g/mol. Its IUPAC name is 1-butoxy-4,4,5,5,6,6,7,7-octafluorooctane;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;bis(1-(2,2-difluoropropylsulfonylmethyl)bicyclo[2.2.1]heptane);3,3,4,4,5,5-hexafluorohexylcyclohexane;methane;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;triphenylsulfanium.

Molecular Properties

• Compound Name: 1-butoxy-4,4,5,5,6,6,7,7-octafluorooctane;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;bis(1-(2,2-difluoropropylsulfonylmethyl)bicyclo[2.2.1]heptane);3,3,4,4,5,5-hexafluorohexylcyclohexane;methane;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;triphenylsulfanium
• PubChem CID: 158559687
• Molecular Formula: C139H193F26O10S7+5
• Molecular Weight: 2742.48 g/mol
• Exact Mass: 2740.22
• IUPAC Name: 1-butoxy-4,4,5,5,6,6,7,7-octafluorooctane;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;bis(1-(2,2-difluoropropylsulfonylmethyl)bicyclo[2.2.1]heptane);3,3,4,4,5,5-hexafluorohexylcyclohexane;methane;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;triphenylsulfanium
• SMILES: C.C.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(F)(F)C(F)(F)C(F)(F)CCC1CCCCC1.CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C1CCCCC1.CC(F)(F)CS(=O)(=O)CC12CCC(CC1)C2.CC(F)(F)CS(=O)(=O)CC12CCC(CC1)C2.CCCCOCCCC(F)(F)C(F)(F)C(F)(F)C(C)(F)F.CCCC[S+](CCCC)CC(=O)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.Oc1ccc([S+]2CCCC2)c2ccccc12.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C20H29OS.C18H15S.C16H25OS.C14H14OS.C12H18F8O.C12H18F6.C12H15OS.C11H14F8O.2C11H18F2O2S.2CH4/c1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13;1-3-4-7-21-8-5-6-10(15,16)12(19,20)11(17,18)9(2,13)14;1-10(13,14)12(17,18)11(15,16)8-7-9-5-3-2-4-6-9;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-8(12,13)10(16,17)20-11(18,19)9(14,15)7-5-3-2-4-6-7;2*1-10(12,13)7-16(14,15)8-11-4-2-9(6-11)3-5-11;;/h10-13,16H,3-9,14-15H2,1-2H3;1-15H;7-11H,3-6,12-14H2,1-2H3;1-2,5-8H,3-4,9-10H2;3-8H2,1-2H3;9H,2-8H2,1H3;1-3,6-7H,4-5,8-10H2;7H,2-6H2,1H3;2*9H,2-8H2,1H3;2*1H4/q3*+1;;;;+1;;;;;/p+1
• InChIKey: HQSNWRMHSIUAIE-UHFFFAOYSA-O
• XLogP: 41.60
• TPSA: 158.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 48
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2742.48
LogP ≤ 5	41.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4,4,5,5,6,6,7,7-octafluorooctane;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;bis(1-(2,2-difluoropropylsulfonylmethyl)bicyclo[2.2.1]heptane);3,3,4,4,5,5-hexafluorohexylcyclohexane;methane;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;triphenylsulfanium?

The IUPAC name of 1-butoxy-4,4,5,5,6,6,7,7-octafluorooctane;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;bis(1-(2,2-difluoropropylsulfonylmethyl)bicyclo[2.2.1]heptane);3,3,4,4,5,5-hexafluorohexylcyclohexane;methane;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;triphenylsulfanium (CID 158559687) is 1-butoxy-4,4,5,5,6,6,7,7-octafluorooctane;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;bis(1-(2,2-difluoropropylsulfonylmethyl)bicyclo[2.2.1]heptane);3,3,4,4,5,5-hexafluorohexylcyclohexane;methane;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;triphenylsulfanium.

What is the SMILES notation for 1-butoxy-4,4,5,5,6,6,7,7-octafluorooctane;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;bis(1-(2,2-difluoropropylsulfonylmethyl)bicyclo[2.2.1]heptane);3,3,4,4,5,5-hexafluorohexylcyclohexane;methane;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;triphenylsulfanium?

The canonical SMILES for 1-butoxy-4,4,5,5,6,6,7,7-octafluorooctane;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;bis(1-(2,2-difluoropropylsulfonylmethyl)bicyclo[2.2.1]heptane);3,3,4,4,5,5-hexafluorohexylcyclohexane;methane;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;triphenylsulfanium is C.C.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(F)(F)C(F)(F)C(F)(F)CCC1CCCCC1.CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C1CCCCC1.CC(F)(F)CS(=O)(=O)CC12CCC(CC1)C2.CC(F)(F)CS(=O)(=O)CC12CCC(CC1)C2.CCCCOCCCC(F)(F)C(F)(F)C(F)(F)C(C)(F)F.CCCC[S+](CCCC)CC(=O)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.Oc1ccc([S+]2CCCC2)c2ccccc12.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 1-butoxy-4,4,5,5,6,6,7,7-octafluorooctane;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;bis(1-(2,2-difluoropropylsulfonylmethyl)bicyclo[2.2.1]heptane);3,3,4,4,5,5-hexafluorohexylcyclohexane;methane;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;triphenylsulfanium?

The InChIKey is HQSNWRMHSIUAIE-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H29OS.C18H15S.C16H25OS.C14H14OS.C12H18F8O.C12H18F6.C12H15OS.C11H14F8O.2C11H18F2O2S.2CH4/c1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13;1-3-4-7-21-8-5-6-10(15,16)12(19,20)11(17,18)9(2,13)14;1-10(13,14)12(17,18)11(15,16)8-7-9-5-3-2-4-6-9;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-8(12,13)10(16,17)20-11(18,19)9(14,15)7-5-3-2-4-6-7;2*1-10(12,13)7-16(14,15)8-11-4-2-9(6-11)3-5-11;;/h10-13,16H,3-9,14-15H2,1-2H3;1-15H;7-11H,3-6,12-14H2,1-2H3;1-2,5-8H,3-4,9-10H2;3-8H2,1-2H3;9H,2-8H2,1H3;1-3,6-7H,4-5,8-10H2;7H,2-6H2,1H3;2*9H,2-8H2,1H3;2*1H4/q3*+1;;;;+1;;;;;/p+1.

What are the key properties of 1-butoxy-4,4,5,5,6,6,7,7-octafluorooctane;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;bis(1-(2,2-difluoropropylsulfonylmethyl)bicyclo[2.2.1]heptane);3,3,4,4,5,5-hexafluorohexylcyclohexane;methane;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;triphenylsulfanium?

1-butoxy-4,4,5,5,6,6,7,7-octafluorooctane;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;bis(1-(2,2-difluoropropylsulfonylmethyl)bicyclo[2.2.1]heptane);3,3,4,4,5,5-hexafluorohexylcyclohexane;methane;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;triphenylsulfanium has a molecular weight of 2742.48 g/mol, XLogP of 41.60, 48 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butoxy-4,4,5,5,6,6,7,7-octafluorooctane;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;bis(1-(2,2-difluoropropylsulfonylmethyl)bicyclo[2.2.1]heptane);3,3,4,4,5,5-hexafluorohexylcyclohexane;methane;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;triphenylsulfanium is sourced from PubChem (CID 158559687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).