1-(4-fluorophenyl)-2-[(2,2,2-trifluoroethyl)amino]ethan-1-ol

• ChemBase ID: 276254
• Molecular Formular: C10H11F4NO
• Molecular Mass: 237.1940528
• Monoisotopic Mass: 237.07767686
• SMILES: C(F)(F)(F)CNCC(c1ccc(cc1)F)O
• Canonical SMILES: Fc1ccc(cc1)C(CNCC(F)(F)F)O
• InChI: InChI=1S/C10H11F4NO/c11-8-3-1-7(2-4-8)9(16)5-15-6-10(12,13)14/h1-4,9,15-16H,5-6H2
• InChIKey: YURPEBDTXRCDSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)-2-[(2,2,2-trifluoroethyl)amino]ethan-1-ol
• IUPAC Traditional name: 1-(4-fluorophenyl)-2-[(2,2,2-trifluoroethyl)amino]ethanol
• Synonyms: 1-(4-fluorophenyl)-2-[(2,2,2-trifluoroethyl)amino]ethan-1-ol

Database IDs

• MDL Number: MFCD12811632
• PubChem SID: 164332164
• PubChem CID: 54594083

CALCULATED PROPERTIES

• Acid pKa: 14.080323
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9500611
• LogD (pH = 7.4): 1.9984052
• Log P: 1.9990579
• Molar Refractivity: 50.935 cm^3
• Polarizability: 18.980553 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.515

Product Information

• Purity: 95%