2-(4-fluorophenyl)acetamide

• ChemBase ID: 269696
• Molecular Formular: C8H8FNO
• Molecular Mass: 153.1536232
• Monoisotopic Mass: 153.0589921
• SMILES: C(=O)(Cc1ccc(F)cc1)N
• Canonical SMILES: NC(=O)Cc1ccc(cc1)F
• InChI: InChI=1S/C8H8FNO/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H2,10,11)
• InChIKey: HUPVBFQYJHFONM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)acetamide
• IUPAC Traditional name: 2-(4-fluorophenyl)acetamide
• Synonyms: 2-(4-fluorophenyl)acetamide

Database IDs

• MDL Number: MFCD03576227
• PubChem SID: 164325606
• PubChem CID: 573120

CALCULATED PROPERTIES

• Acid pKa: 15.036974
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.94675344
• LogD (pH = 7.4): 0.94675344
• Log P: 0.94675344
• Molar Refractivity: 39.4042 cm^3
• Polarizability: 14.90569 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155 - 157°C
• Hydrophobicity(logP): 0.597

Product Information

• Purity: 95%