ChemSpider 2D Image | 3-(5-Methyl-1H-tetrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)-1-piperazinyl]-1-propanone | C11H17F3N6O

3-(5-Methyl-1H-tetrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)-1-piperazinyl]-1-propanone

  • Molecular FormulaC11H17F3N6O
  • Average mass306.288 Da
  • Monoisotopic mass306.141602 Da
  • ChemSpider ID58849451

More details:

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

1-Propanone, 3-(5-methyl-1H-tetrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)-1-piperazinyl]- [ACD/Index Name]
3-(5-Methyl-1H-tetrazol-1-yl)-1-[4-(2,2,2-trifluorethyl)-1-piperazinyl]-1-propanon [German] [ACD/IUPAC Name]
3-(5-Methyl-1H-tetrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)-1-piperazinyl]-1-propanone [ACD/IUPAC Name]
3-(5-Méthyl-1H-tétrazol-1-yl)-1-[4-(2,2,2-trifluoroéthyl)-1-pipérazinyl]-1-propanone [French] [ACD/IUPAC Name]
1-[3-(5-methyl-1H-tetrazol-1-yl)propanoyl]-4-(2,2,2-trifluoroethyl)piperazine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 468.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 236.9±28.7 °C
Index of Refraction: 1.582
Molar Refractivity: 70.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.15
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.95
ACD/LogD (pH 7.4): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.11
Polar Surface Area: 67 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 209.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement