(cyclopropylmethyl)(2,2-difluoroethyl)amine hydrochloride

• ChemBase ID: 235531
• Molecular Formular: C6H12ClF2N
• Molecular Mass: 171.6159864
• Monoisotopic Mass: 171.06263351
• SMILES: C1CC1CNCC(F)F.Cl
• Canonical SMILES: FC(CNCC1CC1)F.Cl
• InChI: InChI=1S/C6H11F2N.ClH/c7-6(8)4-9-3-5-1-2-5;/h5-6,9H,1-4H2;1H
• InChIKey: IEILUWXDFAXQNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylmethyl)(2,2-difluoroethyl)amine hydrochloride
• IUPAC Traditional name: (cyclopropylmethyl)(2,2-difluoroethyl)amine hydrochloride
• Synonyms: (cyclopropylmethyl)(2,2-difluoroethyl)amine hydrochloride

Database IDs

• MDL Number: MFCD22056429
• PubChem SID: 164291441
• PubChem CID: 71755534

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8392831
• LogD (pH = 7.4): 0.7494228
• Log P: 1.0540346
• Molar Refractivity: 31.1958 cm^3
• Polarizability: 12.086422 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.03

Product Information

• Purity: 95%