1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)

C73H81F12NO5S4+2 — CID 158035772

About 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)

1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium) (PubChem CID 158035772) has the molecular formula C73H81F12NO5S4+2 and a molecular weight of 1408.70 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium).

Molecular Properties

• Compound Name: 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)
• PubChem CID: 158035772
• Molecular Formula: C73H81F12NO5S4+2
• Molecular Weight: 1408.70 g/mol
• Exact Mass: 1407.48
• IUPAC Name: 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)
• SMILES: CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C28H38F6O3S.2C18H15S.C9H13F6NO2S/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;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7(10,11)8(12,13)9(14,15)19(17,18)16-5-3-2-4-6-16/h17-21H,2-16H2,1H3;2*1-15H;2-6H2,1H3/q;2*+1
• InChIKey: FHSOFHLBOVANEL-UHFFFAOYSA-N
• XLogP: 21.67
• TPSA: 80.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 18
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1408.70
LogP ≤ 5	21.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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'}

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)?

The IUPAC name of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium) (CID 158035772) is 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium).

What is the SMILES notation for 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)?

The canonical SMILES for 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium) is CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)?

The InChIKey is FHSOFHLBOVANEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38F6O3S.2C18H15S.C9H13F6NO2S/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;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7(10,11)8(12,13)9(14,15)19(17,18)16-5-3-2-4-6-16/h17-21H,2-16H2,1H3;2*1-15H;2-6H2,1H3/q;2*+1;.

What are the key properties of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)?

1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium) has a molecular weight of 1408.70 g/mol, XLogP of 21.67, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium) is sourced from PubChem (CID 158035772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).