ChemSpider 2D Image | Ethyl 4,4,4-trifluorothreoninate | C6H10F3NO3

Ethyl 4,4,4-trifluorothreoninate

  • Molecular FormulaC6H10F3NO3
  • Average mass201.144 Da
  • Monoisotopic mass201.061279 Da
  • ChemSpider ID21413610

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4,4,4-Trifluorothréoninate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4,4,4-trifluorothreoninate [ACD/IUPAC Name]
Ethyl-4,4,4-trifluorthreoninat [German] [ACD/IUPAC Name]
Threonine, 4,4,4-trifluoro-, ethyl ester [ACD/Index Name]
1170731-06-2 [RN]
2-Amino-4,4,4-trifluoro-3-hydroxy butanoic acid ethyl ester
Ethyl 2-amino-4,4,4-trifluoro-3-hydroxybutanoate
MFCD24203439

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 272.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 59.3±6.0 kJ/mol
Flash Point: 118.4±27.3 °C
Index of Refraction: 1.411
Molar Refractivity: 37.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.53
ACD/KOC (pH 5.5): 62.54
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.30
ACD/KOC (pH 7.4): 81.58
Polar Surface Area: 73 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 149.4±3.0 cm3

Click to predict properties on the Chemicalize site


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