2,6-difluoro-N-methoxy-N-methylbenzamide

• ChemBase ID: 43891
• Molecular Formular: C9H9F2NO2
• Molecular Mass: 201.1700664
• Monoisotopic Mass: 201.06013497
• SMILES: c1(C(=O)N(OC)C)c(F)cccc1F
• Canonical SMILES: CON(C(=O)c1c(F)cccc1F)C
• InChI: InChI=1S/C9H9F2NO2/c1-12(14-2)9(13)8-6(10)4-3-5-7(8)11/h3-5H,1-2H3
• InChIKey: XXYIGOBHAZPIOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoro-N-methoxy-N-methylbenzamide
• IUPAC Traditional name: 2,6-difluoro-N-methoxy-N-methylbenzamide
• Synonyms: 2,6-Difluoro-N-methoxy-N-methylbenzamide; 2,6-Difluoro-N-methoxy-N-methylbenzenecarboxamide

Database IDs

• MDL Number: MFCD08689758
• PubChem SID: 162048654
• PubChem CID: 18526172

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7077451
• LogD (pH = 7.4): 1.7077451
• Log P: 1.7077451
• Molar Refractivity: 46.7128 cm^3
• Polarizability: 17.083952 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 52 - 54 °C; 52-54°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%; >97%