1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane

C₂₂H₁₅F₉S — CID 175593186

About 1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane

1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane (PubChem CID 175593186) has the molecular formula C₂₂H₁₅F₉S and a molecular weight of 482.41 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane.

Molecular Properties

• Compound Name: 1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane
• PubChem CID: 175593186
• Molecular Formula: C₂₂H₁₅F₉S
• Molecular Weight: 482.41 g/mol
• Exact Mass: 482.08
• IUPAC Name: 1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane
• SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H15F9S/c23-19(24,21(27,28)29)20(25,26)22(30,31)32(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
• InChIKey: NEOLZJBDTJMRED-UHFFFAOYSA-N
• XLogP: 8.39
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.41
LogP ≤ 5	8.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane?

The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane (CID 175593186) is 1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane.

What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane?

The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(c1ccccc1)(c1ccccc1)c1ccccc1.

What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane?

The InChIKey is NEOLZJBDTJMRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F9S/c23-19(24,21(27,28)29)20(25,26)22(30,31)32(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H.

What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane?

1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane has a molecular weight of 482.41 g/mol, XLogP of 8.39, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane is sourced from PubChem (CID 175593186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175593186 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.