2-ethoxy-6-(trifluoromethyl)pyridine

• ChemBase ID: 290913
• Molecular Formular: C8H8F3NO
• Molecular Mass: 191.1504296
• Monoisotopic Mass: 191.05579854
• SMILES: FC(c1cccc(OCC)n1)(F)F
• Canonical SMILES: CCOc1cccc(n1)C(F)(F)F
• InChI: InChI=1S/C8H8F3NO/c1-2-13-7-5-3-4-6(12-7)8(9,10)11/h3-5H,2H2,1H3
• InChIKey: IACREWBZLSNFOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-6-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-ethoxy-6-(trifluoromethyl)pyridine
• Synonyms: 2-Ethoxy-6-(trifluoromethyl)pyridine

Database IDs

• CAS Number: 1245563-18-1
• PubChem SID: 180676444
• PubChem CID: 53217363

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8128662
• LogD (pH = 7.4): 2.8128664
• Log P: 2.8128664
• Molar Refractivity: 41.0281 cm^3
• Polarizability: 15.060296 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%