ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-1-piperazinecarboxylate | C18H21F6N3O3

2-Methyl-2-propanyl 4-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-1-piperazinecarboxylate

  • Molecular FormulaC18H21F6N3O3
  • Average mass441.368 Da
  • Monoisotopic mass441.148712 Da
  • ChemSpider ID60388816

More details:

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

1-Piperazinecarboxylic acid, 4-[[[3,5-bis(trifluoromethyl)phenyl]amino]carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{[3,5-bis(trifluormethyl)phenyl]carbamoyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{[3,5-Bis(trifluorométhyl)phényl]carbamoyl}-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: 463.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 234.0±28.7 °C
Index of Refraction: 1.497
Molar Refractivity: 94.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1357.34
ACD/KOC (pH 5.5): 6081.02
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1357.30
ACD/KOC (pH 7.4): 6080.84
Polar Surface Area: 62 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 321.4±3.0 cm3

Click to predict properties on the Chemicalize site


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