ChemSpider 2D Image | 1,3,3-Trimethyl-4-{[1-(2,2,2-trifluoroethyl)-1H-tetrazol-5-yl]methyl}-2-piperazinone | C11H17F3N6O

1,3,3-Trimethyl-4-{[1-(2,2,2-trifluoroethyl)-1H-tetrazol-5-yl]methyl}-2-piperazinone

  • Molecular FormulaC11H17F3N6O
  • Average mass306.288 Da
  • Monoisotopic mass306.141602 Da
  • ChemSpider ID63344149

More details:

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

1,3,3-Trimethyl-4-{[1-(2,2,2-trifluorethyl)-1H-tetrazol-5-yl]methyl}-2-piperazinon [German] [ACD/IUPAC Name]
1,3,3-Trimethyl-4-{[1-(2,2,2-trifluoroethyl)-1H-tetrazol-5-yl]methyl}-2-piperazinone [ACD/IUPAC Name]
1,3,3-Triméthyl-4-{[1-(2,2,2-trifluoroéthyl)-1H-tétrazol-5-yl]méthyl}-2-pipérazinone [French] [ACD/IUPAC Name]
2-Piperazinone, 1,3,3-trimethyl-4-[[1-(2,2,2-trifluoroethyl)-1H-tetrazol-5-yl]methyl]- [ACD/Index 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: 436.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 217.8±28.7 °C
Index of Refraction: 1.571
Molar Refractivity: 70.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.71
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.05
ACD/KOC (pH 7.4): 35.99
Polar Surface Area: 67 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 42.4±7.0 dyne/cm
Molar Volume: 213.4±7.0 cm3

Click to predict properties on the Chemicalize site


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