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

• ChemBase ID: 97898
• Molecular Formular: C9H11ClFN
• Molecular Mass: 187.6417432
• Monoisotopic Mass: 187.05640526
• SMILES: NC1(c2ccccc2F)CC1.Cl
• Canonical SMILES: Fc1ccccc1C1(N)CC1.Cl
• InChI: InChI=1S/C9H10FN.ClH/c10-8-4-2-1-3-7(8)9(11)5-6-9;/h1-4H,5-6,11H2;1H
• InChIKey: FKJYBMLORZDBDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorophenyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 1-(2-fluorophenyl)cyclopropan-1-amine hydrochloride
• Synonyms: 1-Amino-1-(2-fluorophenyl)cyclopropane hydrochloride; 1-(1-Aminocycloprop-1-yl)-2-fluorobenzene hydrochloride; 1-(2-Fluorophenyl)cyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD09028126
• PubChem SID: 162105008
• PubChem CID: 53256938

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3022114
• LogD (pH = 7.4): -0.07665249
• Log P: 1.6310494
• Molar Refractivity: 41.8486 cm^3
• Polarizability: 16.293526 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): 1.581

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 95%