2-fluoro-N-methoxy-N-methylbenzamide

• ChemBase ID: 795828
• Molecular Formular: C9H10FNO2
• Molecular Mass: 183.1796032
• Monoisotopic Mass: 183.06955679
• SMILES: c1(c(cccc1)F)C(=O)N(C)OC
• Canonical SMILES: CON(C(=O)c1ccccc1F)C
• InChI: InChI=1S/C9H10FNO2/c1-11(13-2)9(12)7-5-3-4-6-8(7)10/h3-6H,1-2H3
• InChIKey: WWEPCBKULBKDCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-N-methoxy-N-methylbenzamide
• IUPAC Traditional name: 2-fluoro-N-methoxy-N-methylbenzamide
• Synonyms: 2-Fluoro-N-Methoxy-N-MethylbenzaMide

Database IDs

• CAS Number: 198967-24-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5650431
• LogD (pH = 7.4): 1.5650431
• Log P: 1.5650431
• Molar Refractivity: 46.4964 cm^3
• Polarizability: 17.269667 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%