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

• ChemBase ID: 289199
• Molecular Formular: C10H11ClF3N
• Molecular Mass: 237.6492496
• Monoisotopic Mass: 237.0532117
• SMILES: NC1(c2ccccc2C(F)(F)F)CC1.Cl
• Canonical SMILES: FC(c1ccccc1C1(N)CC1)(F)F.Cl
• InChI: InChI=1S/C10H10F3N.ClH/c11-10(12,13)8-4-2-1-3-7(8)9(14)5-6-9;/h1-4H,5-6,14H2;1H
• InChIKey: ONWFXGYSJBPFFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 886366-53-6
• PubChem SID: 180674730
• PubChem CID: 66570696

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: 95+%