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

Isobutyl 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 ID69955792

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]-, 2-methylpropyl ester [ACD/Index Name]
4-{[1-(4-Fluorophényl)-5-(trifluorométhyl)-1H-1,2,3-triazol-4-yl]carbonyl}-1-pipérazinecarboxylate d'isobutyle [French] [ACD/IUPAC Name]
Isobutyl 4-{[1-(4-fluorophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Isobutyl-4-{[1-(4-fluorphenyl)-5-(trifluormethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-1-piperazincarboxylat [German] [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: 559.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.9±32.9 °C
Index of Refraction: 1.578
Molar Refractivity: 103.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.67
ACD/KOC (pH 5.5): 314.69
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.67
ACD/KOC (pH 7.4): 314.69
Polar Surface Area: 81 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 43.2±7.0 dyne/cm
Molar Volume: 310.8±7.0 cm3

Click to predict properties on the Chemicalize site


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