ChemSpider 2D Image | 1-(2,2,2-Trifluoroethyl)-1H-pyrazole-5-carbonitrile | C6H4F3N3

1-(2,2,2-Trifluoroethyl)-1H-pyrazole-5-carbonitrile

  • Molecular FormulaC6H4F3N3
  • Average mass175.111 Da
  • Monoisotopic mass175.035736 Da
  • ChemSpider ID32865915

More details:

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

1-(2,2,2-Trifluorethyl)-1H-pyrazol-5-carbonitril [German] [ACD/IUPAC Name]
1-(2,2,2-Trifluoroethyl)-1H-pyrazole-5-carbonitrile [ACD/IUPAC Name]
1-(2,2,2-Trifluoroéthyl)-1H-pyrazole-5-carbonitrile [French] [ACD/IUPAC Name]
1H-Pyrazole-5-carbonitrile, 1-(2,2,2-trifluoroethyl)- [ACD/Index Name]
1378465-55-4 [RN]
MFCD15976766

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

Density: 1.4±0.1 g/cm3
Boiling Point: 216.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.3±3.0 kJ/mol
Flash Point: 84.5±27.3 °C
Index of Refraction: 1.490
Molar Refractivity: 36.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 2.79
ACD/KOC (pH 5.5): 72.58
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 2.79
ACD/KOC (pH 7.4): 72.58
Polar Surface Area: 42 Å2
Polarizability: 14.6±0.5 10-24cm3
Surface Tension: 34.5±7.0 dyne/cm
Molar Volume: 126.9±7.0 cm3

Click to predict properties on the Chemicalize site


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