2,6-difluoro-4-methoxybenzamide

• ChemBase ID: 100147
• Molecular Formular: C8H7F2NO2
• Molecular Mass: 187.1434864
• Monoisotopic Mass: 187.04448491
• SMILES: Fc1cc(cc(c1C(=O)N)F)OC
• Canonical SMILES: COc1cc(F)c(c(c1)F)C(=O)N
• InChI: InChI=1S/C8H7F2NO2/c1-13-4-2-5(9)7(8(11)12)6(10)3-4/h2-3H,1H3,(H2,11,12)
• InChIKey: FBRDIJHNSYWYIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoro-4-methoxybenzamide
• IUPAC Traditional name: 2,6-difluoro-4-methoxybenzamide
• Synonyms: 2,6-Difluoro-4-methoxybenzamide

Database IDs

• MDL Number: MFCD03094497
• PubChem SID: 162086343
• PubChem CID: 2778770

CALCULATED PROPERTIES

• Acid pKa: 11.415401
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9516192
• LogD (pH = 7.4): 0.9516561
• Log P: 0.95161873
• Molar Refractivity: 42.0324 cm^3
• Polarizability: 15.273408 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant