4-chloro-8-fluoro-2-(trichloromethyl)quinoline

• ChemBase ID: 813202
• Molecular Formular: C10H4Cl4FN
• Molecular Mass: 298.9558632
• Monoisotopic Mass: 296.90818807
• SMILES: c1c(c2c(cc1)c(cc(n2)C(Cl)(Cl)Cl)Cl)F
• Canonical SMILES: Fc1cccc2c1nc(cc2Cl)C(Cl)(Cl)Cl
• InChI: InChI=1S/C10H4Cl4FN/c11-6-4-8(10(12,13)14)16-9-5(6)2-1-3-7(9)15/h1-4H
• InChIKey: QOVRIZVMTSSKRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-8-fluoro-2-(trichloromethyl)quinoline
• IUPAC Traditional name: 4-chloro-8-fluoro-2-(trichloromethyl)quinoline
• Synonyms: 4-CHLORO-8-FLUORO-2-TRICHLOROMETHYL-QUINOLINE

Database IDs

• CAS Number: 927800-48-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.7614055
• LogD (pH = 7.4): 4.7614055
• Log P: 4.7614055
• Molar Refractivity: 65.1066 cm^3
• Polarizability: 25.977509 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%