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

4-[(1-Isopropyl-1H-tetrazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)-2-piperazinone

  • Molecular FormulaC11H17F3N6O
  • Average mass306.288 Da
  • Monoisotopic mass306.141602 Da
  • ChemSpider ID64098018

More details:

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

2-Piperazinone, 4-[[1-(1-methylethyl)-1H-tetrazol-5-yl]methyl]-1-(2,2,2-trifluoroethyl)- [ACD/Index Name]
4-[(1-Isopropyl-1H-tetrazol-5-yl)methyl]-1-(2,2,2-trifluorethyl)-2-piperazinon [German] [ACD/IUPAC Name]
4-[(1-Isopropyl-1H-tetrazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)-2-piperazinone [ACD/IUPAC Name]
4-[(1-Isopropyl-1H-tétrazol-5-yl)méthyl]-1-(2,2,2-trifluoroéthyl)-2-pipérazinone [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 452.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 227.4±28.7 °C
Index of Refraction: 1.583
Molar Refractivity: 69.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.52
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.59
Polar Surface Area: 67 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 208.9±7.0 cm3

Click to predict properties on the Chemicalize site


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