ZKRFRERNOALEJA-UHFFFAOYSA-N

C₉H₈Cl₂F₈ — CID 152666773

About ZKRFRERNOALEJA-UHFFFAOYSA-N

ZKRFRERNOALEJA-UHFFFAOYSA-N (PubChem CID 152666773) has the molecular formula C₉H₈Cl₂F₈ and a molecular weight of 339.05 g/mol. Its IUPAC name is 1,8-dichloro-2,3,3,4,4-pentafluoro-5-(trifluoromethyl)oct-1-ene.

Molecular Properties

• Compound Name: ZKRFRERNOALEJA-UHFFFAOYSA-N
• PubChem CID: 152666773
• Molecular Formula: C₉H₈Cl₂F₈
• Molecular Weight: 339.05 g/mol
• Exact Mass: 337.99
• IUPAC Name: 1,8-dichloro-2,3,3,4,4-pentafluoro-5-(trifluoromethyl)oct-1-ene
• SMILES: FC(=CCl)C(F)(F)C(F)(F)C(CCCCl)C(F)(F)F
• InChI: InChI=1S/C9H8Cl2F8/c10-3-1-2-5(9(17,18)19)7(13,14)8(15,16)6(12)4-11/h4-5H,1-3H2
• InChIKey: ZKRFRERNOALEJA-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	339.05
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of ZKRFRERNOALEJA-UHFFFAOYSA-N (CID 152666773) is 1,8-dichloro-2,3,3,4,4-pentafluoro-5-(trifluoromethyl)oct-1-ene.

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

The canonical SMILES for ZKRFRERNOALEJA-UHFFFAOYSA-N is FC(=CCl)C(F)(F)C(F)(F)C(CCCCl)C(F)(F)F.

What is the InChIKey of ZKRFRERNOALEJA-UHFFFAOYSA-N?

The InChIKey is ZKRFRERNOALEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2F8/c10-3-1-2-5(9(17,18)19)7(13,14)8(15,16)6(12)4-11/h4-5H,1-3H2.

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

ZKRFRERNOALEJA-UHFFFAOYSA-N has a molecular weight of 339.05 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for ZKRFRERNOALEJA-UHFFFAOYSA-N is sourced from PubChem (CID 152666773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152666773 — identifiers, structure, computed properties (public domain)

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