2-(2-aminoethoxy)-6-(trifluoromethyl)pyridine

• ChemBase ID: 243870
• Molecular Formular: C8H9F3N2O
• Molecular Mass: 206.1650696
• Monoisotopic Mass: 206.06669758
• SMILES: C(c1nc(OCCN)ccc1)(F)(F)F
• Canonical SMILES: NCCOc1cccc(n1)C(F)(F)F
• InChI: InChI=1S/C8H9F3N2O/c9-8(10,11)6-2-1-3-7(13-6)14-5-4-12/h1-3H,4-5,12H2
• InChIKey: BCSCHHVCCKWZJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16714225
• PubChem SID: 164299780
• PubChem CID: 62347988

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3022288
• LogD (pH = 7.4): -0.19510096
• Log P: 1.6590747
• Molar Refractivity: 44.2293 cm^3
• Polarizability: 16.574615 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.646

Product Information

• Purity: 95%