2-[(4-fluorophenyl)amino]acetic acid

• ChemBase ID: 308008
• Molecular Formular: C8H8FNO2
• Molecular Mass: 169.1530232
• Monoisotopic Mass: 169.05390672
• SMILES: C(=O)(CNc1ccc(F)cc1)O
• Canonical SMILES: OC(=O)CNc1ccc(cc1)F
• InChI: InChI=1S/C8H8FNO2/c9-6-1-3-7(4-2-6)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
• InChIKey: ZFIMCCCQJDZLCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-fluorophenyl)amino]acetic acid
• IUPAC Traditional name: [(4-fluorophenyl)amino]acetic acid
• Synonyms: N-(4-fluorophenyl)glycine

Database IDs

• CAS Number: 351-95-1
• MDL Number: MFCD02255629

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.95108855
• LogD (pH = 7.4): -2.1976948
• Log P: -0.37794587
• Molar Refractivity: 42.5528 cm^3
• Polarizability: 15.422465 Å^3
• Polar Surface Area: 49.33 Å^2