8-(difluoromethoxy)quinoline

• ChemBase ID: 266094
• Molecular Formular: C10H7F2NO
• Molecular Mass: 195.1654864
• Monoisotopic Mass: 195.04957029
• SMILES: c1(c2ncccc2ccc1)OC(F)F
• Canonical SMILES: FC(Oc1cccc2c1nccc2)F
• InChI: InChI=1S/C10H7F2NO/c11-10(12)14-8-5-1-3-7-4-2-6-13-9(7)8/h1-6,10H
• InChIKey: ONYHQYHDEGKCNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(difluoromethoxy)quinoline
• IUPAC Traditional name: 8-(difluoromethoxy)quinoline
• Synonyms: 8-(difluoromethoxy)quinoline

Database IDs

• MDL Number: MFCD03160780
• PubChem SID: 164322004
• PubChem CID: 3239168

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8993168
• LogD (pH = 7.4): 2.899979
• Log P: 2.8999875
• Molar Refractivity: 46.4514 cm^3
• Polarizability: 18.868052 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64 - 66°C
• Hydrophobicity(logP): 2.77

Product Information

• Purity: 95%