QCHHKNOVZLICRC-UHFFFAOYSA-N

C₁₄H₂₀F₈O₂ — CID 91693207

About QCHHKNOVZLICRC-UHFFFAOYSA-N

QCHHKNOVZLICRC-UHFFFAOYSA-N (PubChem CID 91693207) has the molecular formula C₁₄H₂₀F₈O₂ and a molecular weight of 372.30 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoropentyl 3,5,5-trimethylhexanoate.

Molecular Properties

• Compound Name: QCHHKNOVZLICRC-UHFFFAOYSA-N
• PubChem CID: 91693207
• Molecular Formula: C₁₄H₂₀F₈O₂
• Molecular Weight: 372.30 g/mol
• Exact Mass: 372.13
• IUPAC Name: 2,2,3,3,4,4,5,5-octafluoropentyl 3,5,5-trimethylhexanoate
• SMILES: CC(CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)CC(C)(C)C
• InChI: InChI=1S/C14H20F8O2/c1-8(6-11(2,3)4)5-9(23)24-7-12(17,18)14(21,22)13(19,20)10(15)16/h8,10H,5-7H2,1-4H3
• InChIKey: QCHHKNOVZLICRC-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	372.30
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of QCHHKNOVZLICRC-UHFFFAOYSA-N?

The IUPAC name of QCHHKNOVZLICRC-UHFFFAOYSA-N (CID 91693207) is 2,2,3,3,4,4,5,5-octafluoropentyl 3,5,5-trimethylhexanoate.

What is the SMILES notation for QCHHKNOVZLICRC-UHFFFAOYSA-N?

The canonical SMILES for QCHHKNOVZLICRC-UHFFFAOYSA-N is CC(CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)CC(C)(C)C.

What is the InChIKey of QCHHKNOVZLICRC-UHFFFAOYSA-N?

The InChIKey is QCHHKNOVZLICRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F8O2/c1-8(6-11(2,3)4)5-9(23)24-7-12(17,18)14(21,22)13(19,20)10(15)16/h8,10H,5-7H2,1-4H3.

What are the key properties of QCHHKNOVZLICRC-UHFFFAOYSA-N?

QCHHKNOVZLICRC-UHFFFAOYSA-N has a molecular weight of 372.30 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for QCHHKNOVZLICRC-UHFFFAOYSA-N is sourced from PubChem (CID 91693207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 91693207 — identifiers, structure, computed properties (public domain)

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