2-(2,6-difluorophenyl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 275941
• Molecular Formular: C9H10ClF2N
• Molecular Mass: 205.6322064
• Monoisotopic Mass: 205.04698345
• SMILES: C1(CC1N)c1c(F)cccc1F.Cl
• Canonical SMILES: NC1CC1c1c(F)cccc1F.Cl
• InChI: InChI=1S/C9H9F2N.ClH/c10-6-2-1-3-7(11)9(6)5-4-8(5)12;/h1-3,5,8H,4,12H2;1H
• InChIKey: CPHGOKICURNLKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-difluorophenyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2-(2,6-difluorophenyl)cyclopropan-1-amine hydrochloride
• Synonyms: 2-(2,6-difluorophenyl)cyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD18917425
• PubChem SID: 164331851
• PubChem CID: 54593932

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3497041
• LogD (pH = 7.4): -0.3131931
• Log P: 1.6242863
• Molar Refractivity: 42.1294 cm^3
• Polarizability: 15.943925 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 151 - 153°C
• Hydrophobicity(logP): 1.764

Product Information

• Purity: 95%