1-[2-(trifluoromethyl)phenyl]cyclopropan-1-amine

• ChemBase ID: 799085
• Molecular Formular: C10H10F3N
• Molecular Mass: 201.1883096
• Monoisotopic Mass: 201.07653399
• SMILES: C1(CC1)(N)c1c(cccc1)C(F)(F)F
• Canonical SMILES: FC(c1ccccc1C1(N)CC1)(F)F
• InChI: InChI=1S/C10H10F3N/c11-10(12,13)8-4-2-1-3-7(8)9(14)5-6-9/h1-4H,5-6,14H2
• InChIKey: XEGCOTWTYNWSJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 886366-53-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6028108
• LogD (pH = 7.4): 0.4631231
• Log P: 2.366196
• Molar Refractivity: 47.6059 cm^3
• Polarizability: 17.708534 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%