2,2,2-trifluoro-1-(6-methoxypyridin-2-yl)ethan-1-amine

• ChemBase ID: 814783
• Molecular Formular: C8H9F3N2O
• Molecular Mass: 206.1650696
• Monoisotopic Mass: 206.06669758
• SMILES: C(C(F)(F)F)(N)c1nc(ccc1)OC
• Canonical SMILES: COc1cccc(n1)C(C(F)(F)F)N
• InChI: InChI=1S/C8H9F3N2O/c1-14-6-4-2-3-5(13-6)7(12)8(9,10)11/h2-4,7H,12H2,1H3
• InChIKey: VHGANISUJBOFSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,2-trifluoro-1-(6-methoxypyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2,2,2-trifluoro-1-(6-methoxypyridin-2-yl)ethanamine
• Synonyms: 2,2,2-trifluoro-1-(6-methoxypyridin-2-yl)ethanamine

Database IDs

• CAS Number: 1060807-19-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5520772
• LogD (pH = 7.4): 1.566466
• Log P: 1.5666525
• Molar Refractivity: 43.8244 cm^3
• Polarizability: 16.58158 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%