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

• ChemBase ID: 267943
• Molecular Formular: C5H12ClF2NO
• Molecular Mass: 175.6046864
• Monoisotopic Mass: 175.05754813
• SMILES: C(F)(F)CNCCOC.Cl
• Canonical SMILES: COCCNCC(F)F.Cl
• InChI: InChI=1S/C5H11F2NO.ClH/c1-9-3-2-8-4-5(6)7;/h5,8H,2-4H2,1H3;1H
• InChIKey: ALDZFQLZDYAAJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16547685
• PubChem SID: 164323853
• PubChem CID: 47003170

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.88113445
• LogD (pH = 7.4): 0.16589548
• Log P: 0.22648177
• Molar Refractivity: 30.2973 cm^3
• Polarizability: 11.753385 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 121 - 123°C
• Hydrophobicity(logP): 0.347

Product Information

• Purity: 95%