ChemSpider 2D Image | 5-{[5-(3-Fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole | C19H12F4N4O2

5-{[5-(3-Fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

  • Molecular FormulaC19H12F4N4O2
  • Average mass404.318 Da
  • Monoisotopic mass404.089630 Da
  • ChemSpider ID27307544

More details:

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

1,2,4-Oxadiazole, 5-[[5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
5-{[5-(3-Fluor-4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-3-[3-(trifluormethyl)phenyl]-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
5-{[5-(3-Fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole [ACD/IUPAC Name]
5-{[5-(3-Fluoro-4-méthylphényl)-1,3,4-oxadiazol-2-yl]méthyl}-3-[3-(trifluorométhyl)phényl]-1,2,4-oxadiazole [French] [ACD/IUPAC Name]
5-[5-(3-Fluoro-4-methyl-phenyl)-[1,3,4]oxadiazol-2-ylmethyl]-3-(3-trifluoromethyl-phenyl)-[1,2,4]oxadiazole

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

Density: 1.4±0.1 g/cm3
Boiling Point: 522.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 269.9±32.9 °C
Index of Refraction: 1.540
Molar Refractivity: 91.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 753.79
ACD/KOC (pH 5.5): 3991.50
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 753.79
ACD/KOC (pH 7.4): 3991.50
Polar Surface Area: 78 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 291.9±3.0 cm3

Click to predict properties on the Chemicalize site


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