4-[(2-Hydroxyethyl)amino]-6-(trifluoromethyl)quinoline

• Catalog: OFC1065076165
• CAS: 1065076-16-5
• Category: Fluorinated Quinolines
• Synonyms: 2-{[6-(Trifluoromethyl)quinolin-4-yl]amino}ethan-1-ol
• MDL Number: MFCD11101423

• IUPAC Name: 2-[[6-(trifluoromethyl)quinolin-4-yl]amino]ethanol
• InChI: InChI=1S/C12H11F3N2O/c13-12(14,15)8-1-2-10-9(7-8)11(3-4-16-10)17-5-6-18/h1-4,7,18H,5-6H2,(H,16,17)
• InChI Key: LHOBLSYHNTWLJU-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=NC=CC(=C2C=C1C(F)(F)F)NCCO

• Molecular Formula: C12H11F3N2O
• Molecular Weight: 256.22

• XLogP3-AA: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 256.08234746 g/mol
• Monoisotopic Mass: 256.08234746 g/mol
• Topological Polar Surface Area: 45.2Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 273