4-ethoxy-2-(trifluoromethyl)pyridine

• ChemBase ID: 292791
• Molecular Formular: C8H8F3NO
• Molecular Mass: 191.1504296
• Monoisotopic Mass: 191.05579854
• SMILES: CCOc1cc(ncc1)C(F)(F)F
• Canonical SMILES: CCOc1ccnc(c1)C(F)(F)F
• InChI: InChI=1S/C8H8F3NO/c1-2-13-6-3-4-12-7(5-6)8(9,10)11/h3-5H,2H2,1H3
• InChIKey: IQRKPBKVUDQBAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-2-(trifluoromethyl)pyridine
• IUPAC Traditional name: 4-ethoxy-2-(trifluoromethyl)pyridine
• Synonyms: 4-Ethoxy-2-(trifluoromethyl)pyridine

Database IDs

• CAS Number: 1297137-82-6
• PubChem SID: 180678322
• PubChem CID: 67112054

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2175002
• LogD (pH = 7.4): 2.2183974
• Log P: 2.2184088
• Molar Refractivity: 40.7146 cm^3
• Polarizability: 15.054847 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%