2-(2-fluorophenyl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 272083
• Molecular Formular: C9H11ClFN
• Molecular Mass: 187.6417432
• Monoisotopic Mass: 187.05640526
• SMILES: C1(CC1N)c1c(F)cccc1.Cl
• Canonical SMILES: NC1CC1c1ccccc1F.Cl
• InChI: InChI=1S/C9H10FN.ClH/c10-8-4-2-1-3-6(8)7-5-9(7)11;/h1-4,7,9H,5,11H2;1H
• InChIKey: FTBWFKALQNGCQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2-(2-fluorophenyl)cyclopropan-1-amine hydrochloride
• Synonyms: 2-(2-fluorophenyl)cyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD18380613
• PubChem SID: 164327993
• PubChem CID: 50988674

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5062312
• LogD (pH = 7.4): -0.5663768
• Log P: 1.4815844
• Molar Refractivity: 41.913 cm^3
• Polarizability: 16.221235 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124 - 126°C
• Hydrophobicity(logP): 1.621

Product Information

• Purity: 95%