2,2,2-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]acetamide

• ChemBase ID: 246708
• Molecular Formular: C6H10F3NO3
• Molecular Mass: 201.1437096
• Monoisotopic Mass: 201.06127785
• SMILES: C(C(=O)NCCOCCO)(F)(F)F
• Canonical SMILES: OCCOCCNC(=O)C(F)(F)F
• InChI: InChI=1S/C6H10F3NO3/c7-6(8,9)5(12)10-1-3-13-4-2-11/h11H,1-4H2,(H,10,12)
• InChIKey: RNRCOGKAZKSKNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,2-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]acetamide
• IUPAC Traditional name: 2,2,2-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]acetamide
• Synonyms: 2,2,2-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]acetamide

Database IDs

• MDL Number: MFCD00465460
• PubChem SID: 164302618
• PubChem CID: 56637024

CALCULATED PROPERTIES

• Acid pKa: 5.6185503
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.62100005
• LogD (pH = 7.4): -1.3026087
• Log P: -0.41136116
• Molar Refractivity: 37.7086 cm^3
• Polarizability: 14.129004 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.232

Product Information

• Purity: 95%