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

• ChemBase ID: 265321
• Molecular Formular: C5H11ClF3NO
• Molecular Mass: 193.5951496
• Monoisotopic Mass: 193.04812632
• SMILES: C(F)(F)(F)CNCCOC.Cl
• Canonical SMILES: COCCNCC(F)(F)F.Cl
• InChI: InChI=1S/C5H10F3NO.ClH/c1-10-3-2-9-4-5(6,7)8;/h9H,2-4H2,1H3;1H
• InChIKey: HSFVUZKSYJJEON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14705730
• PubChem SID: 164321231
• PubChem CID: 47002376

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6383433
• LogD (pH = 7.4): 0.71418434
• Log P: 0.71524227
• Molar Refractivity: 31.187 cm^3
• Polarizability: 11.698836 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 184 - 186°C
• Hydrophobicity(logP): 0.565

Product Information

• Purity: 95%