ChemSpider 2D Image | 2-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]-1-{4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}ethanone | C16H15F6N5O

2-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]-1-{4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}ethanone

  • Molecular FormulaC16H15F6N5O
  • Average mass407.314 Da
  • Monoisotopic mass407.118073 Da
  • ChemSpider ID32881594

More details:

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

2-[3-(Trifluormethyl)-1H-pyrazol-1-yl]-1-{4-[5-(trifluormethyl)-2-pyridinyl]-1-piperazinyl}ethanon [German] [ACD/IUPAC Name]
2-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]-1-{4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}ethanone [ACD/IUPAC Name]
2-[3-(Trifluorométhyl)-1H-pyrazol-1-yl]-1-{4-[5-(trifluorométhyl)-2-pyridinyl]-1-pipérazinyl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]- [ACD/Index 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: 518.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 267.6±30.1 °C
Index of Refraction: 1.559
Molar Refractivity: 87.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 9.70
ACD/KOC (pH 5.5): 120.54
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.12
ACD/KOC (pH 7.4): 449.01
Polar Surface Area: 54 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 40.6±7.0 dyne/cm
Molar Volume: 271.7±7.0 cm3

Click to predict properties on the Chemicalize site


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