2-(2,5-difluorophenyl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 280673
• Molecular Formular: C9H10ClF2N
• Molecular Mass: 205.6322064
• Monoisotopic Mass: 205.04698345
• SMILES: C1(CC1N)c1c(ccc(c1)F)F.Cl
• Canonical SMILES: NC1CC1c1cc(F)ccc1F.Cl
• InChI: InChI=1S/C9H9F2N.ClH/c10-5-1-2-8(11)6(3-5)7-4-9(7)12;/h1-3,7,9H,4,12H2;1H
• InChIKey: SBISJXJUOBFQHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-difluorophenyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2-(2,5-difluorophenyl)cyclopropan-1-amine hydrochloride
• Synonyms: 2-(2,5-difluorophenyl)cyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD20441586
• PubChem SID: 180666204
• PubChem CID: 54595356

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3592247
• LogD (pH = 7.4): -0.38650006
• Log P: 1.6242863
• Molar Refractivity: 42.1294 cm^3
• Polarizability: 15.94304 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 167 - 169°C
• Hydrophobicity(logP): 1.764

Product Information

• Purity: 95%