ChemSpider 2D Image | 3-[2-(2-Furyl)-1,3-thiazol-4-yl]-3-oxo-2-[5-(trifluoromethyl)-2-pyridinyl]propanenitrile | C16H8F3N3O2S

3-[2-(2-Furyl)-1,3-thiazol-4-yl]-3-oxo-2-[5-(trifluoromethyl)-2-pyridinyl]propanenitrile

  • Molecular FormulaC16H8F3N3O2S
  • Average mass363.314 Da
  • Monoisotopic mass363.028931 Da
  • ChemSpider ID30001596

More details:

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

2-Pyridineacetonitrile, α-[[2-(2-furanyl)-4-thiazolyl]carbonyl]-5-(trifluoromethyl)- [ACD/Index Name]
3-[2-(2-Furyl)-1,3-thiazol-4-yl]-3-oxo-2-[5-(trifluormethyl)-2-pyridinyl]propannitril [German] [ACD/IUPAC Name]
3-[2-(2-Furyl)-1,3-thiazol-4-yl]-3-oxo-2-[5-(trifluoromethyl)-2-pyridinyl]propanenitrile [ACD/IUPAC Name]
3-[2-(2-Furyl)-1,3-thiazol-4-yl]-3-oxo-2-[5-(trifluorométhyl)-2-pyridinyl]propanenitrile [French] [ACD/IUPAC 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: 513.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 264.2±32.9 °C
Index of Refraction: 1.568
Molar Refractivity: 81.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 108 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 249.8±3.0 cm3

Click to predict properties on the Chemicalize site


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