ChemSpider 2D Image | 3-[3,5-Bis(trifluoromethyl)phenyl]-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile | C20H10F6N2OS

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

  • Molecular FormulaC20H10F6N2OS
  • Average mass440.362 Da
  • Monoisotopic mass440.041809 Da
  • ChemSpider ID125176602

More details:

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

2-Thiazoleacetonitrile, α-[3,5-bis(trifluoromethyl)benzoyl]-4-phenyl- [ACD/Index Name]
3-[3,5-Bis(trifluormethyl)phenyl]-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)propannitril [German] [ACD/IUPAC Name]
3-[3,5-Bis(trifluoromethyl)phenyl]-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile [ACD/IUPAC Name]
3-[3,5-Bis(trifluorométhyl)phényl]-3-oxo-2-(4-phényl-1,3-thiazol-2-yl)propanenitrile [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 466.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 235.9±28.7 °C
Index of Refraction: 1.539
Molar Refractivity: 96.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.06
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: 82 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 307.3±3.0 cm3

Click to predict properties on the Chemicalize site


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