ChemSpider 2D Image | 2-(1H-Pyrazol-1-yl)ethyl N-[(2,2,2-trifluoroethoxy)carbonyl]glycinate | C10H12F3N3O4

2-(1H-Pyrazol-1-yl)ethyl N-[(2,2,2-trifluoroethoxy)carbonyl]glycinate

  • Molecular FormulaC10H12F3N3O4
  • Average mass295.215 Da
  • Monoisotopic mass295.078003 Da
  • ChemSpider ID30100135

More details:

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

2-(1H-Pyrazol-1-yl)ethyl N-[(2,2,2-trifluoroethoxy)carbonyl]glycinate [ACD/IUPAC Name]
2-(1H-Pyrazol-1-yl)ethyl-N-[(2,2,2-trifluorethoxy)carbonyl]glycinat [German] [ACD/IUPAC Name]
Glycine, N-[(2,2,2-trifluoroethoxy)carbonyl]-, 2-(1H-pyrazol-1-yl)ethyl ester [ACD/Index Name]
N-[(2,2,2-Trifluoroéthoxy)carbonyl]glycinate de 2-(1H-pyrazol-1-yl)éthyle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4534506/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 394.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 192.5±27.9 °C
Index of Refraction: 1.499
Molar Refractivity: 60.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 4.51
ACD/KOC (pH 5.5): 102.22
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.49
ACD/KOC (pH 7.4): 101.90
Polar Surface Area: 82 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 41.2±7.0 dyne/cm
Molar Volume: 207.0±7.0 cm3

Click to predict properties on the Chemicalize site


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