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

• ChemBase ID: 267170
• Molecular Formular: C10H11ClF3N
• Molecular Mass: 237.6492496
• Monoisotopic Mass: 237.0532117
• SMILES: C1(CC1N)c1c(C(F)(F)F)cccc1.Cl
• Canonical SMILES: NC1CC1c1ccccc1C(F)(F)F.Cl
• InChI: InChI=1S/C10H10F3N.ClH/c11-10(12,13)8-4-2-1-3-6(8)7-5-9(7)14;/h1-4,7,9H,5,14H2;1H
• InChIKey: CXCTXCXCIYKANU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16040144
• PubChem SID: 164323080
• PubChem CID: 47002950

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.77541333
• LogD (pH = 7.4): 0.12822996
• Log P: 2.2167308
• Molar Refractivity: 47.6703 cm^3
• Polarizability: 17.64164 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180 - 182°C
• Hydrophobicity(logP): 2.361

Product Information

• Purity: 95%