ChemSpider 2D Image | [5-(4-Fluorophenyl)-1,2-oxazol-3-yl][3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone | C16H11F4N5O2

[5-(4-Fluorophenyl)-1,2-oxazol-3-yl][3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone

  • Molecular FormulaC16H11F4N5O2
  • Average mass381.284 Da
  • Monoisotopic mass381.084900 Da
  • ChemSpider ID35270595

More details:

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

[5-(4-Fluorophenyl)-1,2-oxazol-3-yl][3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone [ACD/IUPAC Name]
[5-(4-Fluorophényl)-1,2-oxazol-3-yl][3-(trifluorométhyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]méthanone [French] [ACD/IUPAC Name]
[5-(4-Fluorphenyl)-1,2-oxazol-3-yl][3-(trifluormethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanon [German] [ACD/IUPAC Name]
Methanone, [5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl][5-(4-fluorophenyl)-3-isoxazolyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 581.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.7±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 85.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.75
ACD/KOC (pH 5.5): 227.16
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.75
ACD/KOC (pH 7.4): 227.16
Polar Surface Area: 77 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 232.5±7.0 cm3

Click to predict properties on the Chemicalize site


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