2-bromo-2-(4-fluorophenyl)acetamide

• ChemBase ID: 252318
• Molecular Formular: C8H7BrFNO
• Molecular Mass: 232.0496832
• Monoisotopic Mass: 230.96950407
• SMILES: C(=O)(C(c1ccc(cc1)F)Br)N
• Canonical SMILES: BrC(c1ccc(cc1)F)C(=O)N
• InChI: InChI=1S/C8H7BrFNO/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7H,(H2,11,12)
• InChIKey: FDWUBKJXMHZBKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08444283
• PubChem SID: 164308228
• PubChem CID: 10966358

CALCULATED PROPERTIES

• Log P: 1.7716821
• Molar Refractivity: 46.7769 cm^3
• Polarizability: 17.817112 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 12.441083
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.7716821
• LogD (pH = 7.4): 1.7716856

PROPERTIES

Physical Property

• Melting Point: 108 - 110°C
• Hydrophobicity(logP): 1.63

Product Information

• Purity: 95%