2,4-dichloro-6-fluoro-3-phenylquinoline

• ChemBase ID: 95984
• Molecular Formular: C15H8Cl2FN
• Molecular Mass: 292.1351232
• Monoisotopic Mass: 291.00178284
• SMILES: n1c(c(c(c2cc(ccc12)F)Cl)c1ccccc1)Cl
• Canonical SMILES: Fc1ccc2c(c1)c(Cl)c(c(n2)Cl)c1ccccc1
• InChI: InChI=1S/C15H8Cl2FN/c16-14-11-8-10(18)6-7-12(11)19-15(17)13(14)9-4-2-1-3-5-9/h1-8H
• InChIKey: DAZYNNDCSWOWGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-fluoro-3-phenylquinoline
• IUPAC Traditional name: 2,4-dichloro-6-fluoro-3-phenylquinoline
• Synonyms: 2,4-dichloro-6-fluoro-3-phenylquinoline

Database IDs

• MDL Number: MFCD00101151
• PubChem SID: 162082633
• PubChem CID: 2780763

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.3490944
• LogD (pH = 7.4): 5.3490944
• Log P: 5.3490944
• Molar Refractivity: 76.0028 cm^3
• Polarizability: 31.357382 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false