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

• ChemBase ID: 263644
• Molecular Formular: C3H8ClF2N
• Molecular Mass: 131.5521264
• Monoisotopic Mass: 131.03133338
• SMILES: C(F)(F)CNC.Cl
• Canonical SMILES: CNCC(F)F.Cl
• InChI: InChI=1S/C3H7F2N.ClH/c1-6-2-3(4)5;/h3,6H,2H2,1H3;1H
• InChIKey: RWYRUDPAALLKPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11043069
• PubChem SID: 164319554
• PubChem CID: 45792392

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3406364
• LogD (pH = 7.4): 0.09251042
• Log P: 0.27345726
• Molar Refractivity: 19.2538 cm^3
• Polarizability: 7.3908834 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142 - 144°C
• Hydrophobicity(logP): 0.057

Product Information

• Purity: 95%