1-(4-fluorophenyl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 285836
• Molecular Formular: C9H11ClFN
• Molecular Mass: 187.6417432
• Monoisotopic Mass: 187.05640526
• SMILES: C1(CC1)(c1ccc(cc1)F)N.Cl
• Canonical SMILES: NC1(CC1)c1ccc(cc1)F.Cl
• InChI: InChI=1S/C9H10FN.ClH/c10-8-3-1-7(2-4-8)9(11)5-6-9;/h1-4H,5-6,11H2;1H
• InChIKey: JYCQXHLHNSOVLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 1-(4-fluorophenyl)cyclopropan-1-amine hydrochloride
• Synonyms: 1-(4-fluorophenyl)cyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD07995728
• PubChem SID: 180671367
• PubChem CID: 24206585

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3603693
• LogD (pH = 7.4): -0.4504119
• Log P: 1.6310494
• Molar Refractivity: 41.8486 cm^3
• Polarizability: 16.293695 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 220 - 222°C
• Hydrophobicity(logP): 1.581

Product Information

• Purity: 95%