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

• ChemBase ID: 814839
• Molecular Formular: C9H9F3N2
• Molecular Mass: 202.1763696
• Monoisotopic Mass: 202.07178296
• SMILES: C1(CC1)(N)c1cnc(cc1)C(F)(F)F
• Canonical SMILES: FC(c1ccc(cn1)C1(N)CC1)(F)F
• InChI: InChI=1S/C9H9F3N2/c10-9(11,12)7-2-1-6(5-14-7)8(13)3-4-8/h1-2,5H,3-4,13H2
• InChIKey: LDNFXTSHKMVBTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropan-1-amine
• IUPAC Traditional name: 1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropan-1-amine
• Synonyms: 1-(6-(trifluoromethyl)pyridin-3-yl)cyclopropanamine

Database IDs

• CAS Number: 1060810-97-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4159199
• LogD (pH = 7.4): -0.25724235
• Log P: 1.5343739
• Molar Refractivity: 45.077 cm^3
• Polarizability: 16.905819 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%