7-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-ol

• ChemBase ID: 291439
• Molecular Formular: C10H4ClF4NO
• Molecular Mass: 265.5914728
• Monoisotopic Mass: 264.99175431
• SMILES: Oc1cc(C(F)(F)F)nc2c(F)c(Cl)ccc12
• Canonical SMILES: Clc1ccc2c(c1F)nc(cc2O)C(F)(F)F
• InChI: InChI=1S/C10H4ClF4NO/c11-5-2-1-4-6(17)3-7(10(13,14)15)16-9(4)8(5)12/h1-3H,(H,16,17)
• InChIKey: FUPNDEQEFQAHST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-ol
• IUPAC Traditional name: 7-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-ol
• Synonyms: 7-Chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-ol

Database IDs

• CAS Number: 1150164-84-3
• MDL Number: MFCD12026030
• PubChem SID: 180676970
• PubChem CID: 43667969

CALCULATED PROPERTIES

• Acid pKa: 9.62186
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.8377483
• LogD (pH = 7.4): 3.835231
• Log P: 3.8377805
• Molar Refractivity: 52.5831 cm^3
• Polarizability: 20.468344 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%