1-(3-fluorophenyl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 278045
• Molecular Formular: C9H11ClFN
• Molecular Mass: 187.6417432
• Monoisotopic Mass: 187.05640526
• SMILES: C1(CC1)(c1cc(F)ccc1)N.Cl
• Canonical SMILES: Fc1cccc(c1)C1(N)CC1.Cl
• InChI: InChI=1S/C9H10FN.ClH/c10-8-3-1-2-7(6-8)9(11)4-5-9;/h1-3,6H,4-5,11H2;1H
• InChIKey: LZAJSOANABVKSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-fluorophenyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 1-(3-fluorophenyl)cyclopropan-1-amine hydrochloride
• Synonyms: 1-(3-fluorophenyl)cyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD08752572
• PubChem SID: 164333955
• PubChem CID: 53256538

CALCULATED PROPERTIES

• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3498758
• LogD (pH = 7.4): -0.35871005
• Log P: 1.6310494
• Molar Refractivity: 41.8486 cm^3
• Polarizability: 16.293678 Å^3

PROPERTIES

Physical Property

• Melting Point: 185 - 187°C
• Hydrophobicity(logP): 1.581

Product Information

• Purity: 95%