ChemSpider 2D Image | 2-(2-{3-[3,5-Bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}ethyl)-1,3,4-oxadiazole | C14H9F6N5O

2-(2-{3-[3,5-Bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}ethyl)-1,3,4-oxadiazole

  • Molecular FormulaC14H9F6N5O
  • Average mass377.245 Da
  • Monoisotopic mass377.071136 Da
  • ChemSpider ID35035505

More details:






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

1,3,4-Oxadiazole, 2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]ethyl]- [ACD/Index Name]
2-(2-{3-[3,5-Bis(trifluormethyl)phenyl]-1H-1,2,4-triazol-1-yl}ethyl)-1,3,4-oxadiazol [German] [ACD/IUPAC Name]
2-(2-{3-[3,5-Bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}ethyl)-1,3,4-oxadiazole [ACD/IUPAC Name]
2-(2-{3-[3,5-Bis(trifluorométhyl)phényl]-1H-1,2,4-triazol-1-yl}éthyl)-1,3,4-oxadiazole [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 439.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 219.5±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 77.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 163.06
ACD/KOC (pH 5.5): 1334.10
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 163.07
ACD/KOC (pH 7.4): 1334.21
Polar Surface Area: 70 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 39.6±7.0 dyne/cm
Molar Volume: 236.7±7.0 cm3

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