2-(difluoromethoxy)quinolin-7-ol

• ChemBase ID: 797244
• Molecular Formular: C10H7F2NO2
• Molecular Mass: 211.1648864
• Monoisotopic Mass: 211.04448491
• SMILES: c1(cc2c(cc1)ccc(n2)OC(F)F)O
• Canonical SMILES: FC(Oc1ccc2c(n1)cc(cc2)O)F
• InChI: InChI=1S/C10H7F2NO2/c11-10(12)15-9-4-2-6-1-3-7(14)5-8(6)13-9/h1-5,10,14H
• InChIKey: YJPDZFAVWWBUSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(difluoromethoxy)quinolin-7-ol
• IUPAC Traditional name: 2-(difluoromethoxy)quinolin-7-ol
• Synonyms: 2-(DifluoroMethoxy)quinolin-7-ol

Database IDs

• CAS Number: 1261475-30-2

CALCULATED PROPERTIES

• Acid pKa: 8.663439
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.190422
• LogD (pH = 7.4): 3.1679728
• Log P: 3.1908796
• Molar Refractivity: 48.7458 cm^3
• Polarizability: 19.520826 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%