2,4-dichloro-6-fluoroquinoline

• ChemBase ID: 293604
• Molecular Formular: C9H4Cl2FN
• Molecular Mass: 216.0391632
• Monoisotopic Mass: 214.97048271
• SMILES: Fc1ccc2nc(Cl)cc(Cl)c2c1
• Canonical SMILES: Fc1ccc2c(c1)c(Cl)cc(n2)Cl
• InChI: InChI=1S/C9H4Cl2FN/c10-7-4-9(11)13-8-2-1-5(12)3-6(7)8/h1-4H
• InChIKey: XLEGVSYSXNPSAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-fluoroquinoline
• IUPAC Traditional name: 2,4-dichloro-6-fluoroquinoline
• Synonyms: 2,4-Dichloro-6-fluoroquinoline

Database IDs

• CAS Number: 406204-74-8
• MDL Number: MFCD09261383
• PubChem SID: 180679135
• PubChem CID: 27282142

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7018688
• LogD (pH = 7.4): 3.701869
• Log P: 3.701869
• Molar Refractivity: 50.8666 cm^3
• Polarizability: 20.433157 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%