4,7-dichloro-2-(trifluoromethyl)quinoline

• ChemBase ID: 291426
• Molecular Formular: C10H4Cl2F3N
• Molecular Mass: 266.0466696
• Monoisotopic Mass: 264.96728915
• SMILES: FC(c1nc2cc(Cl)ccc2c(Cl)c1)(F)F
• Canonical SMILES: Clc1ccc2c(c1)nc(cc2Cl)C(F)(F)F
• InChI: InChI=1S/C10H4Cl2F3N/c11-5-1-2-6-7(12)4-9(10(13,14)15)16-8(6)3-5/h1-4H
• InChIKey: PABBFMFOBKWLJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,7-dichloro-2-(trifluoromethyl)quinoline
• IUPAC Traditional name: 4,7-dichloro-2-(trifluoromethyl)quinoline
• Synonyms: 4,7-Dichloro-2-(trifluoromethyl)quinoline

Database IDs

• CAS Number: 702640-95-7
• MDL Number: MFCD11504914
• PubChem SID: 180676957
• PubChem CID: 18451516

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.6026883
• LogD (pH = 7.4): 4.602689
• Log P: 4.602689
• Molar Refractivity: 55.1906 cm^3
• Polarizability: 21.867157 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%