ethyl(2,2,2-trifluoroethyl)amine hydrochloride

• ChemBase ID: 255714
• Molecular Formular: C4H9ClF3N
• Molecular Mass: 163.5691696
• Monoisotopic Mass: 163.03756163
• SMILES: C(F)(F)(F)CNCC.Cl
• Canonical SMILES: CCNCC(F)(F)F.Cl
• InChI: InChI=1S/C4H8F3N.ClH/c1-2-8-3-4(5,6)7;/h8H,2-3H2,1H3;1H
• InChIKey: JZUREOAGNLWCRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(2,2,2-trifluoroethyl)amine hydrochloride
• IUPAC Traditional name: ethyl(2,2,2-trifluoroethyl)amine hydrochloride
• Synonyms: N-ethyl-N-(2,2,2-trifluoroethyl)amine hydrochloride

Database IDs

• MDL Number: MFCD09971665
• PubChem SID: 164311624
• PubChem CID: 42919629

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.88397205
• LogD (pH = 7.4): 1.1151155
• Log P: 1.1190257
• Molar Refractivity: 24.8921 cm^3
• Polarizability: 9.130846 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 227 - 229°C
• Hydrophobicity(logP): 1.299

Product Information

• Purity: 95%