6-bromo-8-(trifluoromethyl)quinoline

• ChemBase ID: 289882
• Molecular Formular: C10H5BrF3N
• Molecular Mass: 276.0526096
• Monoisotopic Mass: 274.95574583
• SMILES: FC(c1c2ncccc2cc(Br)c1)(F)F
• Canonical SMILES: Brc1cc2cccnc2c(c1)C(F)(F)F
• InChI: InChI=1S/C10H5BrF3N/c11-7-4-6-2-1-3-15-9(6)8(5-7)10(12,13)14/h1-5H
• InChIKey: NUCWPZYQCHRZDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-8-(trifluoromethyl)quinoline
• IUPAC Traditional name: 6-bromo-8-(trifluoromethyl)quinoline
• Synonyms: 6-Bromo-8-(trifluoromethyl)quinoline

Database IDs

• CAS Number: 1065074-30-7
• PubChem SID: 180675413
• PubChem CID: 46739097

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7773073
• LogD (pH = 7.4): 3.7774992
• Log P: 3.7775016
• Molar Refractivity: 53.5758 cm^3
• Polarizability: 20.940327 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%