2-methyl-8-(trifluoromethyl)quinolin-4-ol

• ChemBase ID: 99486
• Molecular Formular: C11H8F3NO
• Molecular Mass: 227.1825296
• Monoisotopic Mass: 227.05579854
• SMILES: n1c(cc(c2cccc(c12)C(F)(F)F)O)C
• Canonical SMILES: Cc1cc(O)c2c(n1)c(ccc2)C(F)(F)F
• InChI: InChI=1S/C11H8F3NO/c1-6-5-9(16)7-3-2-4-8(10(7)15-6)11(12,13)14/h2-5H,1H3,(H,15,16)
• InChIKey: OTMHQQLVOKHQTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-8-(trifluoromethyl)quinolin-4-ol
• IUPAC Traditional name: 2-methyl-8-(trifluoromethyl)quinolin-4-ol
• Synonyms: 2-Methyl-8-(trifluoromethyl)quinolin-4-ol; 4-Hydroxy-2-methyl-8-(trifluoromethyl)quinoline; 2-METHYL-8-TRIFLUOROMETHYL-QUINOLIN-4-OL

Database IDs

• CAS Number: 140908-88-9
• MDL Number: MFCD00100260
• PubChem SID: 162085751
• PubChem CID: 614890

CALCULATED PROPERTIES

• Acid pKa: 10.5946665
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8363533
• LogD (pH = 7.4): 2.8362787
• Log P: 2.8365538
• Molar Refractivity: 52.5254 cm^3
• Polarizability: 20.3396 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%