ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{[2-methyl-4,6-bis(trifluoromethyl)-3-pyridinyl]carbonyl}-1-piperazinecarboxylate | C18H21F6N3O3

2-Methyl-2-propanyl 4-{[2-methyl-4,6-bis(trifluoromethyl)-3-pyridinyl]carbonyl}-1-piperazinecarboxylate

  • Molecular FormulaC18H21F6N3O3
  • Average mass441.368 Da
  • Monoisotopic mass441.148712 Da
  • ChemSpider ID114952042

More details:

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

1-Piperazinecarboxylic acid, 4-[[2-methyl-4,6-bis(trifluoromethyl)-3-pyridinyl]carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{[2-methyl-4,6-bis(trifluoromethyl)-3-pyridinyl]carbonyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{[2-methyl-4,6-bis(trifluormethyl)-3-pyridinyl]carbonyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{[2-Méthyl-4,6-bis(trifluorométhyl)-3-pyridinyl]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: 1.3±0.1 g/cm3
Boiling Point: 457.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 230.5±28.7 °C
Index of Refraction: 1.476
Molar Refractivity: 92.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 149.90
ACD/KOC (pH 5.5): 1256.18
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 149.90
ACD/KOC (pH 7.4): 1256.18
Polar Surface Area: 63 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 329.3±3.0 cm3

Click to predict properties on the Chemicalize site


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