7-(trifluoromethoxy)quinolin-4-ol

• ChemBase ID: 287188
• Molecular Formular: C10H6F3NO2
• Molecular Mass: 229.1553496
• Monoisotopic Mass: 229.0350631
• SMILES: Oc1ccnc2cc(OC(F)(F)F)ccc12
• Canonical SMILES: Oc1ccnc2c1ccc(c2)OC(F)(F)F
• InChI: InChI=1S/C10H6F3NO2/c11-10(12,13)16-6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15)
• InChIKey: AULSFKAITWRAMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(trifluoromethoxy)quinolin-4-ol
• IUPAC Traditional name: 7-(trifluoromethoxy)quinolin-4-ol
• Synonyms: 7-(Trifluoromethoxy)quinolin-4-ol

Database IDs

• CAS Number: 53985-75-4
• MDL Number: MFCD08063183
• PubChem SID: 180672719
• PubChem CID: 45599358

CALCULATED PROPERTIES

• Acid pKa: 10.627647
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2579472
• LogD (pH = 7.4): 3.2581875
• Log P: 3.2584467
• Molar Refractivity: 45.0305 cm^3
• Polarizability: 19.363916 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%