2-chloro-2-(4-fluorophenyl)acetamide

• ChemBase ID: 269221
• Molecular Formular: C8H7ClFNO
• Molecular Mass: 187.5986832
• Monoisotopic Mass: 187.02001975
• SMILES: C(=O)(C(c1ccc(cc1)F)Cl)N
• Canonical SMILES: ClC(c1ccc(cc1)F)C(=O)N
• InChI: InChI=1S/C8H7ClFNO/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7H,(H2,11,12)
• InChIKey: WVRLEXFAKGYCBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16694371
• PubChem SID: 164325131
• PubChem CID: 50989577

CALCULATED PROPERTIES

• Acid pKa: 12.344027
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5861869
• LogD (pH = 7.4): 1.5861912
• Log P: 1.5861868
• Molar Refractivity: 43.7934 cm^3
• Polarizability: 16.806992 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 93 - 95°C
• Hydrophobicity(logP): 1.41

Product Information

• Purity: 95%