1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2-tetrafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium);dihydrofluoride

C148H180F18N2O11S8+4 — CID 158682319

About 1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2-tetrafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium);dihydrofluoride

1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2-tetrafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium);dihydrofluoride (PubChem CID 158682319) has the molecular formula C148H180F18N2O11S8+4 and a molecular weight of 2761.57 g/mol. Its IUPAC name is 1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2-tetrafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium);dihydrofluoride.

Molecular Properties

• Compound Name: 1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2-tetrafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium);dihydrofluoride
• PubChem CID: 158682319
• Molecular Formula: C148H180F18N2O11S8+4
• Molecular Weight: 2761.57 g/mol
• Exact Mass: 2759.10
• IUPAC Name: 1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2-tetrafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium);dihydrofluoride
• SMILES: CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.CCC(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.F.F.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCCC3)ccc(OC3CCCCC3)c2c1
• InChI: InChI=1S/C28H38F6O3S.C25H38.C20H25OS.3C18H15S.C13H21F4NO2S.C8H11F6NO5S2.2FH/c1-26(29,30)27(31,32)28(33,34)38(35,36)37-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;1-19-24(21-13-7-3-8-14-21)17-23(20-11-5-2-6-12-20)18-25(19)22-15-9-4-10-16-22;1-2-8-16(9-3-1)21-19-12-13-20(22-14-6-7-15-22)18-11-5-4-10-17(18)19;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-12(14,15)13(16,17)21(19,20)18-8-7-10-5-3-4-6-11(10)9-18;9-6(10,8(13,14)22(18,19)20)7(11,12)21(16,17)15-4-2-1-3-5-15;;/h17-21H,2-16H2,1H3;17-18,20-22H,2-16H2,1H3;4-5,10-13,16H,1-3,6-9,14-15H2;3*1-15H;10-11H,2-9H2,1H3;1-5H2,(H,18,19,20);2*1H/q;;4*+1
• InChIKey: IFHDZFHCDGNFIG-UHFFFAOYSA-N
• XLogP: 42.51
• TPSA: 181.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 32
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2761.57
LogP ≤ 5	42.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2-tetrafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium);dihydrofluoride?

The IUPAC name of 1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2-tetrafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium);dihydrofluoride (CID 158682319) is 1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2-tetrafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium);dihydrofluoride.

What is the SMILES notation for 1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2-tetrafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium);dihydrofluoride?

The canonical SMILES for 1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2-tetrafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium);dihydrofluoride is CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.CCC(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.F.F.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCCC3)ccc(OC3CCCCC3)c2c1.

What is the InChIKey of 1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2-tetrafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium);dihydrofluoride?

The InChIKey is IFHDZFHCDGNFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38F6O3S.C25H38.C20H25OS.3C18H15S.C13H21F4NO2S.C8H11F6NO5S2.2FH/c1-26(29,30)27(31,32)28(33,34)38(35,36)37-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;1-19-24(21-13-7-3-8-14-21)17-23(20-11-5-2-6-12-20)18-25(19)22-15-9-4-10-16-22;1-2-8-16(9-3-1)21-19-12-13-20(22-14-6-7-15-22)18-11-5-4-10-17(18)19;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-12(14,15)13(16,17)21(19,20)18-8-7-10-5-3-4-6-11(10)9-18;9-6(10,8(13,14)22(18,19)20)7(11,12)21(16,17)15-4-2-1-3-5-15;;/h17-21H,2-16H2,1H3;17-18,20-22H,2-16H2,1H3;4-5,10-13,16H,1-3,6-9,14-15H2;3*1-15H;10-11H,2-9H2,1H3;1-5H2,(H,18,19,20);2*1H/q;;4*+1;;;;.

What are the key properties of 1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2-tetrafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium);dihydrofluoride?

1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2-tetrafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium);dihydrofluoride has a molecular weight of 2761.57 g/mol, XLogP of 42.51, 32 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2-tetrafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium);dihydrofluoride is sourced from PubChem (CID 158682319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).