{1-[2-(trifluoromethyl)phenyl]cyclopropyl}methanamine

• ChemBase ID: 806825
• Molecular Formular: C11H12F3N
• Molecular Mass: 215.2148896
• Monoisotopic Mass: 215.09218405
• SMILES: NCC1(CC1)c1c(cccc1)C(F)(F)F
• Canonical SMILES: NCC1(CC1)c1ccccc1C(F)(F)F
• InChI: InChI=1S/C11H12F3N/c12-11(13,14)9-4-2-1-3-8(9)10(7-15)5-6-10/h1-4H,5-7,15H2
• InChIKey: ALLBBKZZMNLOMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[2-(trifluoromethyl)phenyl]cyclopropyl}methanamine
• IUPAC Traditional name: {1-[2-(trifluoromethyl)phenyl]cyclopropyl}methanamine
• Synonyms: C-[1-(2-TRIFLUOROMETHYL-PHENYL)-CYCLOPROPYL]-METHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.43269184
• LogD (pH = 7.4): 0.5818083
• Log P: 2.5447717
• Molar Refractivity: 52.3276 cm^3
• Polarizability: 19.453003 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%