N-ethyl-N-(trifluoromethoxy)aniline

• ChemBase ID: 796799
• Molecular Formular: C9H10F3NO
• Molecular Mass: 205.1770096
• Monoisotopic Mass: 205.07144861
• SMILES: N(OC(F)(F)F)(c1ccccc1)CC
• Canonical SMILES: CCN(c1ccccc1)OC(F)(F)F
• InChI: InChI=1S/C9H10F3NO/c1-2-13(14-9(10,11)12)8-6-4-3-5-7-8/h3-7H,2H2,1H3
• InChIKey: FUEXADKGEWRGIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-(trifluoromethoxy)aniline
• IUPAC Traditional name: N-ethyl-N-(trifluoromethoxy)aniline
• Synonyms: N-Ethyl-N-phenyl-O-(trifluoroMethyl)hydroxylaMine

Database IDs

• CAS Number: 175278-20-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.0286503
• LogD (pH = 7.4): 4.0286503
• Log P: 4.0286503
• Molar Refractivity: 52.6885 cm^3
• Polarizability: 17.042212 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%