N,N-dimethyl-2-[(2,2,2-trifluoroethyl)amino]acetamide

• ChemBase ID: 257751
• Molecular Formular: C6H11F3N2O
• Molecular Mass: 184.1595496
• Monoisotopic Mass: 184.08234764
• SMILES: C(F)(F)(F)CNCC(=O)N(C)C
• Canonical SMILES: CN(C(=O)CNCC(F)(F)F)C
• InChI: InChI=1S/C6H11F3N2O/c1-11(2)5(12)3-10-4-6(7,8)9/h10H,3-4H2,1-2H3
• InChIKey: QTARMRFRCXLRQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-[(2,2,2-trifluoroethyl)amino]acetamide
• IUPAC Traditional name: N,N-dimethyl-2-[(2,2,2-trifluoroethyl)amino]acetamide
• Synonyms: N,N-dimethyl-2-[(2,2,2-trifluoroethyl)amino]acetamide

Database IDs

• MDL Number: MFCD11154736
• PubChem SID: 164313661
• PubChem CID: 28595914

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.133398
• LogD (pH = 7.4): -0.11956861
• Log P: -0.11938941
• Molar Refractivity: 37.8437 cm^3
• Polarizability: 14.06732 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.454

Product Information

• Purity: 95%