[2-(2,6-difluorophenyl)cyclopropyl]methanamine hydrochloride

• ChemBase ID: 284212
• Molecular Formular: C10H12ClF2N
• Molecular Mass: 219.6587864
• Monoisotopic Mass: 219.06263351
• SMILES: C1(CC1CN)c1c(F)cccc1F.Cl
• Canonical SMILES: NCC1CC1c1c(F)cccc1F.Cl
• InChI: InChI=1S/C10H11F2N.ClH/c11-8-2-1-3-9(12)10(8)7-4-6(7)5-13;/h1-3,6-7H,4-5,13H2;1H
• InChIKey: ZUNMYZYZEKBQRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2,6-difluorophenyl)cyclopropyl]methanamine hydrochloride
• IUPAC Traditional name: [2-(2,6-difluorophenyl)cyclopropyl]methanamine hydrochloride
• Synonyms: [2-(2,6-difluorophenyl)cyclopropyl]methanamine hydrochloride

Database IDs

• MDL Number: MFCD20502101
• PubChem SID: 180669743
• PubChem CID: 16047557

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1588116
• LogD (pH = 7.4): -0.6401803
• Log P: 1.8613453
• Molar Refractivity: 46.9372 cm^3
• Polarizability: 17.76971 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 198 - 200°C
• Hydrophobicity(logP): 2.003

Product Information

• Purity: 95%