Perfluoropentane

C₅F₁₂ — CID 12675

About Perfluoropentane

Perfluoropentane (PubChem CID 12675) has the molecular formula C₅F₁₂ and a molecular weight of 288.03 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane.

Molecular Properties

• Compound Name: Perfluoropentane
• PubChem CID: 12675
• Molecular Formula: C₅F₁₂
• Molecular Weight: 288.03 g/mol
• Exact Mass: 287.98
• IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane
• SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17
• InChIKey: NJCBUSHGCBERSK-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.03
LogP ≤ 5	4.02
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 Perfluoropentane?

The IUPAC name of Perfluoropentane (CID 12675) is 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane.

What is the SMILES notation for Perfluoropentane?

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

What is the InChIKey of Perfluoropentane?

The InChIKey is NJCBUSHGCBERSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17.

What are the key properties of Perfluoropentane?

Perfluoropentane has a molecular weight of 288.03 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Perfluoropentane is sourced from PubChem (CID 12675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 12675 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4685 — approved-drug record (CC BY-SA 4.0)

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