ChemSpider 2D Image | 5-Ethynyl-2-(trifluoromethyl)pyrimidine | C7H3F3N2

5-Ethynyl-2-(trifluoromethyl)pyrimidine

  • Molecular FormulaC7H3F3N2
  • Average mass172.107 Da
  • Monoisotopic mass172.024826 Da
  • ChemSpider ID58180323

More details:

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

5-Ethinyl-2-(trifluormethyl)pyrimidin [German] [ACD/IUPAC Name]
5-Ethynyl-2-(trifluoromethyl)pyrimidine [ACD/IUPAC Name]
5-Éthynyl-2-(trifluorométhyl)pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 5-ethynyl-2-(trifluoromethyl)- [ACD/Index Name]
1196153-54-4 [RN]
MFCD13189790

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

Density: 1.4±0.1 g/cm3
Boiling Point: 130.6±40.0 °C at 760 mmHg
Vapour Pressure: 11.8±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.3±3.0 kJ/mol
Flash Point: 32.8±27.3 °C
Index of Refraction: 1.460
Molar Refractivity: 34.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 3.02
ACD/KOC (pH 5.5): 76.68
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 3.02
ACD/KOC (pH 7.4): 76.68
Polar Surface Area: 26 Å2
Polarizability: 13.6±0.5 10-24cm3
Surface Tension: 40.1±5.0 dyne/cm
Molar Volume: 125.7±5.0 cm3

Click to predict properties on the Chemicalize site


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