2-(difluoromethoxy)-N-methoxy-N-methylbenzamide

• ChemBase ID: 238464
• Molecular Formular: C10H11F2NO3
• Molecular Mass: 231.1960464
• Monoisotopic Mass: 231.07069966
• SMILES: c1(C(=O)N(OC)C)c(OC(F)F)cccc1
• Canonical SMILES: CON(C(=O)c1ccccc1OC(F)F)C
• InChI: InChI=1S/C10H11F2NO3/c1-13(15-2)9(14)7-5-3-4-6-8(7)16-10(11)12/h3-6,10H,1-2H3
• InChIKey: HXPUTJKACGZMBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(difluoromethoxy)-N-methoxy-N-methylbenzamide
• IUPAC Traditional name: 2-(difluoromethoxy)-N-methoxy-N-methylbenzamide
• Synonyms: 2-(difluoromethoxy)-N-methoxy-N-methylbenzamide

Database IDs

• MDL Number: MFCD19106657
• PubChem SID: 164294374
• PubChem CID: 55027774

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1914282
• LogD (pH = 7.4): 2.1914282
• Log P: 2.1914282
• Molar Refractivity: 52.7521 cm^3
• Polarizability: 19.708345 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.014

Product Information

• Purity: 95%