Perfluorobutane

C₄F₁₀ — CID 9638

About Perfluorobutane

Perfluorobutane (PubChem CID 9638) has the molecular formula C₄F₁₀ and a molecular weight of 238.02 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,4-decafluorobutane.

Molecular Properties

• Compound Name: Perfluorobutane
• PubChem CID: 9638
• Molecular Formula: C₄F₁₀
• Molecular Weight: 238.02 g/mol
• Exact Mass: 237.98
• IUPAC Name: 1,1,1,2,2,3,3,4,4,4-decafluorobutane
• SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14
• InChIKey: KAVGMUDTWQVPDF-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	238.02
LogP ≤ 5	3.38
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 Perfluorobutane?

The IUPAC name of Perfluorobutane (CID 9638) is 1,1,1,2,2,3,3,4,4,4-decafluorobutane.

What is the SMILES notation for Perfluorobutane?

The canonical SMILES for Perfluorobutane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of Perfluorobutane?

The InChIKey is KAVGMUDTWQVPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14.

What are the key properties of Perfluorobutane?

Perfluorobutane has a molecular weight of 238.02 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Perfluorobutane is sourced from PubChem (CID 9638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 9638 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3999 — approved-drug record (CC BY-SA 4.0)

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