1-[4-(trifluoromethyl)pyridin-2-yl]cyclopropan-1-amine

• ChemBase ID: 815120
• Molecular Formular: C9H9F3N2
• Molecular Mass: 202.1763696
• Monoisotopic Mass: 202.07178296
• SMILES: C1(CC1)(N)c1nccc(c1)C(F)(F)F
• Canonical SMILES: FC(c1ccnc(c1)C1(N)CC1)(F)F
• InChI: InChI=1S/C9H9F3N2/c10-9(11,12)6-1-4-14-7(5-6)8(13)2-3-8/h1,4-5H,2-3,13H2
• InChIKey: ROWUMZFJRTUADK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(trifluoromethyl)pyridin-2-yl]cyclopropan-1-amine
• IUPAC Traditional name: 1-[4-(trifluoromethyl)pyridin-2-yl]cyclopropan-1-amine
• Synonyms: 1-(4-(trifluoromethyl)pyridin-2-yl)cyclopropanamine

Database IDs

• CAS Number: 1060805-56-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1993979
• LogD (pH = 7.4): 0.37362793
• Log P: 1.5343739
• Molar Refractivity: 45.077 cm^3
• Polarizability: 16.902712 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%