{1-[2-(trifluoromethyl)pyridin-4-yl]cyclopropyl}methanamine

• ChemBase ID: 814845
• Molecular Formular: C10H11F3N2
• Molecular Mass: 216.2029496
• Monoisotopic Mass: 216.08743302
• SMILES: C(N)C1(CC1)c1cc(ncc1)C(F)(F)F
• Canonical SMILES: NCC1(CC1)c1ccnc(c1)C(F)(F)F
• InChI: InChI=1S/C10H11F3N2/c11-10(12,13)8-5-7(1-4-15-8)9(6-14)2-3-9/h1,4-5H,2-3,6,14H2
• InChIKey: ZWOAVYNXLBRVOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[2-(trifluoromethyl)pyridin-4-yl]cyclopropyl}methanamine
• IUPAC Traditional name: {1-[2-(trifluoromethyl)pyridin-4-yl]cyclopropyl}methanamine
• Synonyms: (1-(2-(trifluoromethyl)pyridin-4-yl)cyclopropyl)methanamine

Database IDs

• CAS Number: 1060811-06-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2656449
• LogD (pH = 7.4): -0.25813892
• Log P: 1.7129496
• Molar Refractivity: 49.7987 cm^3
• Polarizability: 18.640066 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%