4-(difluoromethoxy)benzamide

• ChemBase ID: 261480
• Molecular Formular: C8H7F2NO2
• Molecular Mass: 187.1434864
• Monoisotopic Mass: 187.04448491
• SMILES: C(=O)(c1ccc(OC(F)F)cc1)N
• Canonical SMILES: FC(Oc1ccc(cc1)C(=O)N)F
• InChI: InChI=1S/C8H7F2NO2/c9-8(10)13-6-3-1-5(2-4-6)7(11)12/h1-4,8H,(H2,11,12)
• InChIKey: HCQDUYGHJUQQAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(difluoromethoxy)benzamide
• IUPAC Traditional name: 4-(difluoromethoxy)benzamide
• Synonyms: 4-(difluoromethoxy)benzamide

Database IDs

• MDL Number: MFCD11643210
• PubChem SID: 164317390
• PubChem CID: 14959960

CALCULATED PROPERTIES

• Acid pKa: 14.487354
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.592973
• LogD (pH = 7.4): 1.5929731
• Log P: 1.5929731
• Molar Refractivity: 41.6085 cm^3
• Polarizability: 15.330454 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 130 - 132°C
• Hydrophobicity(logP): 1.282

Product Information

• Purity: 95%