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

• ChemBase ID: 289075
• Molecular Formular: C9H11F3N2
• Molecular Mass: 204.1922496
• Monoisotopic Mass: 204.08743302
• SMILES: CC(N)(c1ccc(C(F)(F)F)nc1)C
• Canonical SMILES: CC(c1ccc(nc1)C(F)(F)F)(N)C
• InChI: InChI=1S/C9H11F3N2/c1-8(2,13)6-3-4-7(14-5-6)9(10,11)12/h3-5H,13H2,1-2H3
• InChIKey: TYJYXZPYQLKPNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[6-(trifluoromethyl)pyridin-3-yl]propan-2-amine
• IUPAC Traditional name: 2-[6-(trifluoromethyl)pyridin-3-yl]propan-2-amine
• Synonyms: 2-(6-(Trifluoromethyl)pyridin-3-yl)propan-2-amine

Database IDs

• CAS Number: 566158-78-9
• MDL Number: MFCD12923335
• PubChem SID: 180674606
• PubChem CID: 54579902

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1536176
• LogD (pH = 7.4): -0.2835642
• Log P: 1.8421923
• Molar Refractivity: 47.0332 cm^3
• Polarizability: 17.595474 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%