ethyl 2-[(2,2,2-trifluoroethyl)amino]acetate

• ChemBase ID: 263933
• Molecular Formular: C6H10F3NO2
• Molecular Mass: 185.1443096
• Monoisotopic Mass: 185.06636323
• SMILES: C(F)(F)(F)CNCC(=O)OCC
• Canonical SMILES: CCOC(=O)CNCC(F)(F)F
• InChI: InChI=1S/C6H10F3NO2/c1-2-12-5(11)3-10-4-6(7,8)9/h10H,2-4H2,1H3
• InChIKey: WXUUYAIOCOITMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[(2,2,2-trifluoroethyl)amino]acetate
• IUPAC Traditional name: ethyl 2-[(2,2,2-trifluoroethyl)amino]acetate
• Synonyms: ethyl 2-[(2,2,2-trifluoroethyl)amino]acetate

Database IDs

• MDL Number: MFCD11154791
• PubChem SID: 164319843
• PubChem CID: 28596014

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.74284315
• LogD (pH = 7.4): 0.74290234
• Log P: 0.7429031
• Molar Refractivity: 35.7458 cm^3
• Polarizability: 13.696189 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.915

Product Information

• Purity: 95%