2-[6-(trifluoromethyl)pyridin-3-yl]ethan-1-amine

• ChemBase ID: 804378
• Molecular Formular: C8H9F3N2
• Molecular Mass: 190.1656696
• Monoisotopic Mass: 190.07178296
• SMILES: NCCc1cnc(cc1)C(F)(F)F
• Canonical SMILES: NCCc1ccc(nc1)C(F)(F)F
• InChI: InChI=1S/C8H9F3N2/c9-8(10,11)7-2-1-6(3-4-12)5-13-7/h1-2,5H,3-4,12H2
• InChIKey: WROOFMMSFNGPDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[6-(trifluoromethyl)pyridin-3-yl]ethan-1-amine
• IUPAC Traditional name: 2-[6-(trifluoromethyl)pyridin-3-yl]ethanamine
• Synonyms: 2-(6-TRIFLUOROMETHYL-PYRIDIN-3-YL)-ETHYLAMINE

Database IDs

• CAS Number: 765287-34-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5704479
• LogD (pH = 7.4): -0.78973114
• Log P: 1.4337019
• Molar Refractivity: 42.7312 cm^3
• Polarizability: 15.730121 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%