2-hydroxy-N-(2,2,2-trifluoroethyl)acetamide

• ChemBase ID: 286340
• Molecular Formular: C4H6F3NO2
• Molecular Mass: 157.0911496
• Monoisotopic Mass: 157.0350631
• SMILES: C(CNC(=O)CO)(F)(F)F
• Canonical SMILES: OCC(=O)NCC(F)(F)F
• InChI: InChI=1S/C4H6F3NO2/c5-4(6,7)2-8-3(10)1-9/h9H,1-2H2,(H,8,10)
• InChIKey: WOFYMUAFBNFMMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-N-(2,2,2-trifluoroethyl)acetamide
• IUPAC Traditional name: 2-hydroxy-N-(2,2,2-trifluoroethyl)acetamide
• Synonyms: 2-hydroxy-N-(2,2,2-trifluoroethyl)acetamide

Database IDs

• MDL Number: MFCD12138144
• PubChem SID: 180671871
• PubChem CID: 43558907

CALCULATED PROPERTIES

• Acid pKa: 8.668087
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.66902524
• LogD (pH = 7.4): -0.6889168
• Log P: -0.66876405
• Molar Refractivity: 26.5149 cm^3
• Polarizability: 9.843903 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.445

Product Information

• Purity: 95%