2-(2-fluorophenyl)acetamide

• ChemBase ID: 269694
• Molecular Formular: C8H8FNO
• Molecular Mass: 153.1536232
• Monoisotopic Mass: 153.0589921
• SMILES: C(=O)(Cc1c(F)cccc1)N
• Canonical SMILES: NC(=O)Cc1ccccc1F
• InChI: InChI=1S/C8H8FNO/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H2,10,11)
• InChIKey: DJSDMLCYBAQMCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11643209
• PubChem SID: 164325604
• PubChem CID: 12269175

CALCULATED PROPERTIES

• Acid pKa: 14.685937
• 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: 14.905573 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158 - 160°C
• Hydrophobicity(logP): 0.597

Product Information

• Purity: 95%