2-amino-N-methyl-N-(2,2,2-trifluoroethyl)acetamide hydrochloride

• ChemBase ID: 279055
• Molecular Formular: C5H10ClF3N2O
• Molecular Mass: 206.5939096
• Monoisotopic Mass: 206.04337529
• SMILES: C(CN(C(=O)CN)C)(F)(F)F.Cl
• Canonical SMILES: NCC(=O)N(CC(F)(F)F)C.Cl
• InChI: InChI=1S/C5H9F3N2O.ClH/c1-10(4(11)2-9)3-5(6,7)8;/h2-3,9H2,1H3;1H
• InChIKey: LMPLVJVKXSRVTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-methyl-N-(2,2,2-trifluoroethyl)acetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-methyl-N-(2,2,2-trifluoroethyl)acetamide hydrochloride
• Synonyms: 2-amino-N-methyl-N-(2,2,2-trifluoroethyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD20233587
• PubChem SID: 164334965
• PubChem CID: 54595114

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0400076
• LogD (pH = 7.4): -1.3559437
• Log P: -0.5519698
• Molar Refractivity: 33.0691 cm^3
• Polarizability: 12.303592 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159 - 161°C
• Hydrophobicity(logP): -0.382

Product Information

• Purity: 95%