{1-[6-(trifluoromethyl)pyridin-2-yl]cyclopropyl}methanamine

• ChemBase ID: 814843
• Molecular Formular: C10H11F3N2
• Molecular Mass: 216.2029496
• Monoisotopic Mass: 216.08743302
• SMILES: C(N)C1(CC1)c1nc(ccc1)C(F)(F)F
• Canonical SMILES: NCC1(CC1)c1cccc(n1)C(F)(F)F
• InChI: InChI=1S/C10H11F3N2/c11-10(12,13)8-3-1-2-7(15-8)9(6-14)4-5-9/h1-3H,4-6,14H2
• InChIKey: UWHRBHFKGHFJJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[6-(trifluoromethyl)pyridin-2-yl]cyclopropyl}methanamine
• IUPAC Traditional name: {1-[6-(trifluoromethyl)pyridin-2-yl]cyclopropyl}methanamine
• Synonyms: (1-(6-(trifluoromethyl)pyridin-2-yl)cyclopropyl)methanamine

Database IDs

• CAS Number: 1060811-02-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8627289
• LogD (pH = 7.4): 0.24326628
• Log P: 2.0988
• Molar Refractivity: 49.4267 cm^3
• Polarizability: 18.64199 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%