4-chloro-6,7,8-trifluoro-2-methylquinoline

C₁₀H₅ClF₃N — CID 15151234

About 4-chloro-6,7,8-trifluoro-2-methylquinoline

4-chloro-6,7,8-trifluoro-2-methylquinoline (PubChem CID 15151234) has the molecular formula C₁₀H₅ClF₃N and a molecular weight of 231.60 g/mol. Its IUPAC name is 4-chloro-6,7,8-trifluoro-2-methylquinoline.

Molecular Properties

• Compound Name: 4-chloro-6,7,8-trifluoro-2-methylquinoline
• PubChem CID: 15151234
• Molecular Formula: C₁₀H₅ClF₃N
• Molecular Weight: 231.60 g/mol
• Exact Mass: 231.01
• IUPAC Name: 4-chloro-6,7,8-trifluoro-2-methylquinoline
• SMILES: Cc1cc(Cl)c2cc(F)c(F)c(F)c2n1
• InChI: InChI=1S/C10H5ClF3N/c1-4-2-6(11)5-3-7(12)8(13)9(14)10(5)15-4/h2-3H,1H3
• InChIKey: HQUHDAZFRVRKBR-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	231.60
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7,8-trifluoro-2-methylquinoline?

The IUPAC name of 4-chloro-6,7,8-trifluoro-2-methylquinoline (CID 15151234) is 4-chloro-6,7,8-trifluoro-2-methylquinoline.

What is the SMILES notation for 4-chloro-6,7,8-trifluoro-2-methylquinoline?

The canonical SMILES for 4-chloro-6,7,8-trifluoro-2-methylquinoline is Cc1cc(Cl)c2cc(F)c(F)c(F)c2n1.

What is the InChIKey of 4-chloro-6,7,8-trifluoro-2-methylquinoline?

The InChIKey is HQUHDAZFRVRKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3N/c1-4-2-6(11)5-3-7(12)8(13)9(14)10(5)15-4/h2-3H,1H3.

What are the key properties of 4-chloro-6,7,8-trifluoro-2-methylquinoline?

4-chloro-6,7,8-trifluoro-2-methylquinoline has a molecular weight of 231.60 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6,7,8-trifluoro-2-methylquinoline is sourced from PubChem (CID 15151234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15151234 — identifiers, structure, computed properties (public domain)

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