ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{[1-(4-fluorophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-1-piperazinecarboxylate | C19H21F4N5O3

2-Methyl-2-propanyl 4-{[1-(4-fluorophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-1-piperazinecarboxylate

  • Molecular FormulaC19H21F4N5O3
  • Average mass443.395 Da
  • Monoisotopic mass443.158051 Da
  • ChemSpider ID34365804

More details:

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

1-Piperazinecarboxylic acid, 4-[[1-(4-fluorophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{[1-(4-fluorophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{[1-(4-fluorphenyl)-5-(trifluormethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{[1-(4-Fluorophényl)-5-(trifluorométhyl)-1H-1,2,3-triazol-4-yl]carbonyl}-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 552.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 287.8±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 103.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.40
ACD/KOC (pH 5.5): 322.20
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.40
ACD/KOC (pH 7.4): 322.20
Polar Surface Area: 81 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 42.3±7.0 dyne/cm
Molar Volume: 315.3±7.0 cm3

Click to predict properties on the Chemicalize site


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