2-(3-fluorophenyl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 270758
• Molecular Formular: C9H11ClFN
• Molecular Mass: 187.6417432
• Monoisotopic Mass: 187.05640526
• SMILES: C1(CC1N)c1cc(F)ccc1.Cl
• Canonical SMILES: NC1CC1c1cccc(c1)F.Cl
• InChI: InChI=1S/C9H10FN.ClH/c10-7-3-1-2-6(4-7)8-5-9(8)11;/h1-4,8-9H,5,11H2;1H
• InChIKey: HZAULGOGPQNNCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluorophenyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2-(3-fluorophenyl)cyclopropan-1-amine hydrochloride
• Synonyms: 2-(3-fluorophenyl)cyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD17480461
• PubChem SID: 164326668
• PubChem CID: 50988677

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5143639
• LogD (pH = 7.4): -0.64564073
• Log P: 1.4815844
• Molar Refractivity: 41.913 cm^3
• Polarizability: 16.219906 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180 - 182°C
• Hydrophobicity(logP): 1.621

Product Information

• Purity: 95%