ChemSpider 2D Image | 5-(2-Benzylphenyl)-3-(trifluoromethyl)-1H-pyrazole | C17H13F3N2

5-(2-Benzylphenyl)-3-(trifluoromethyl)-1H-pyrazole

  • Molecular FormulaC17H13F3N2
  • Average mass302.294 Da
  • Monoisotopic mass302.103088 Da
  • ChemSpider ID21154253

More details:

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

1H-Pyrazole, 5-[2-(phenylmethyl)phenyl]-3-(trifluoromethyl)- [ACD/Index Name]
5-(2-Benzylphenyl)-3-(trifluormethyl)-1H-pyrazol [German] [ACD/IUPAC Name]
5-(2-Benzylphenyl)-3-(trifluoromethyl)-1H-pyrazole [ACD/IUPAC Name]
5-(2-Benzylphényl)-3-(trifluorométhyl)-1H-pyrazole [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 453.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 227.9±28.7 °C
Index of Refraction: 1.563
Molar Refractivity: 77.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 4241.19
ACD/KOC (pH 5.5): 13744.99
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4228.37
ACD/KOC (pH 7.4): 13703.42
Polar Surface Area: 29 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 239.2±3.0 cm3

Click to predict properties on the Chemicalize site


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