N-methoxy-N-methyl-4-(trifluoromethoxy)benzamide

• ChemBase ID: 238462
• Molecular Formular: C10H10F3NO3
• Molecular Mass: 249.1865096
• Monoisotopic Mass: 249.06127785
• SMILES: C(=O)(N(OC)C)c1ccc(OC(F)(F)F)cc1
• Canonical SMILES: CON(C(=O)c1ccc(cc1)OC(F)(F)F)C
• InChI: InChI=1S/C10H10F3NO3/c1-14(16-2)9(15)7-3-5-8(6-4-7)17-10(11,12)13/h3-6H,1-2H3
• InChIKey: VFYQAVXEGGXXQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methoxy-N-methyl-4-(trifluoromethoxy)benzamide
• IUPAC Traditional name: N-methoxy-N-methyl-4-(trifluoromethoxy)benzamide
• Synonyms: N-methoxy-N-methyl-4-(trifluoromethoxy)benzamide

Database IDs

• MDL Number: MFCD19445196
• PubChem SID: 164294372
• PubChem CID: 25130512

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8534527
• LogD (pH = 7.4): 2.8534527
• Log P: 2.8534527
• Molar Refractivity: 49.3503 cm^3
• Polarizability: 19.616755 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.677

Product Information

• Purity: 95%