ChemSpider 2D Image | [1-(2-Aminoethyl)-1H-1,2,3-triazol-4-yl][4-(2,2,2-trifluoroethyl)-1-piperazinyl]methanone | C11H17F3N6O

[1-(2-Aminoethyl)-1H-1,2,3-triazol-4-yl][4-(2,2,2-trifluoroethyl)-1-piperazinyl]methanone

  • Molecular FormulaC11H17F3N6O
  • Average mass306.288 Da
  • Monoisotopic mass306.141602 Da
  • ChemSpider ID29714233

More details:

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

[1-(2-Aminoethyl)-1H-1,2,3-triazol-4-yl][4-(2,2,2-trifluorethyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
[1-(2-Aminoethyl)-1H-1,2,3-triazol-4-yl][4-(2,2,2-trifluoroethyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
[1-(2-Aminoéthyl)-1H-1,2,3-triazol-4-yl][4-(2,2,2-trifluoroéthyl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [1-(2-aminoethyl)-1H-1,2,3-triazol-4-yl][4-(2,2,2-trifluoroethyl)-1-piperazinyl]- [ACD/Index Name]
2-(4-{[4-(2,2,2-trifluoroethyl)piperazin-1-yl]carbonyl}-1H-1,2,3-triazol-1-yl)ethanamine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 427.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 212.5±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 69.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.53
ACD/LogD (pH 5.5): -4.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 202.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement