2-Quinolin-2-yl-1-[4-(trifluoromethyl)phenylethanol

• Catalog: OFC496947309
• CAS: 496947-30-9
• Category: Fluorinated Quinolines
• Synonyms: 2-(2-quinolyl)-1-[4-(trifluoromethyl)phenyl]ethan-1-ol
• Purity: >95%
• MDL Number: MFCD03424493

• IUPAC Name: 2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol
• InChI: InChI=1S/C18H14F3NO/c19-18(20,21)14-8-5-13(6-9-14)17(23)11-15-10-7-12-3-1-2-4-16(12)22-15/h1-10,17,23H,11H2
• InChI Key: TWXZARYDNLBGFM-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C2C(=C1)C=CC(=N2)CC(C3=CC=C(C=C3)C(F)(F)F)O
• EC Number: 671-766-7

• Molecular Formula: C18H14F3NO
• Molecular Weight: 317.31
• Melting Point: 171-173 °C

• XLogP3-AA: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 317.10274856 g/mol
• Monoisotopic Mass: 317.10274856 g/mol
• Topological Polar Surface Area: 33.1Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 379