6-fluoro-2-(tribromomethyl)quinoline

• ChemBase ID: 95335
• Molecular Formular: C10H5Br3FN
• Molecular Mass: 397.8638032
• Monoisotopic Mass: 394.79561339
• SMILES: n1c2ccc(cc2ccc1C(Br)(Br)Br)F
• Canonical SMILES: Fc1ccc2c(c1)ccc(n2)C(Br)(Br)Br
• InChI: InChI=1S/C10H5Br3FN/c11-10(12,13)9-4-1-6-5-7(14)2-3-8(6)15-9/h1-5H
• InChIKey: AYMMQFYDUYJYBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-2-(tribromomethyl)quinoline
• IUPAC Traditional name: 6-fluoro-2-(tribromomethyl)quinoline
• Synonyms: 6-fluoro-2-(tribromomethyl)quinoline

Database IDs

• MDL Number: MFCD00117346
• PubChem SID: 162081985
• PubChem CID: 2779592

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.608356
• LogD (pH = 7.4): 4.608478
• Log P: 4.6084795
• Molar Refractivity: 68.7273 cm^3
• Polarizability: 27.10661 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true