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

• ChemBase ID: 814838
• Molecular Formular: C9H9F3N2
• Molecular Mass: 202.1763696
• Monoisotopic Mass: 202.07178296
• SMILES: C1(CC1)(N)c1nc(ccc1)C(F)(F)F
• Canonical SMILES: FC(c1cccc(n1)C1(N)CC1)(F)F
• InChI: InChI=1S/C9H9F3N2/c10-9(11,12)7-3-1-2-6(14-7)8(13)4-5-8/h1-3H,4-5,13H2
• InChIKey: QAFABCRJBVXFFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[6-(trifluoromethyl)pyridin-2-yl]cyclopropan-1-amine
• IUPAC Traditional name: 1-[6-(trifluoromethyl)pyridin-2-yl]cyclopropan-1-amine
• Synonyms: 1-(6-(trifluoromethyl)pyridin-2-yl)cyclopropanamine

Database IDs

• CAS Number: 1060810-96-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8476061
• LogD (pH = 7.4): 0.69343346
• Log P: 1.9202242
• Molar Refractivity: 44.705 cm^3
• Polarizability: 16.906706 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%