ChemSpider 2D Image | 5-[5-(Aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3,4-trifluorobenzonitrile | C10H5F3N4O

5-[5-(Aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3,4-trifluorobenzonitrile

  • Molecular FormulaC10H5F3N4O
  • Average mass254.168 Da
  • Monoisotopic mass254.041550 Da
  • ChemSpider ID37564206

More details:






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

5-[5-(Aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3,4-trifluorbenzonitril [German] [ACD/IUPAC Name]
5-[5-(Aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3,4-trifluorobenzonitrile [ACD/IUPAC Name]
5-[5-(Aminométhyl)-1,2,4-oxadiazol-3-yl]-2,3,4-trifluorobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3,4-trifluoro- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 382.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 184.9±30.7 °C
Index of Refraction: 1.564
Molar Refractivity: 52.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.67
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.65
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 40.76
Polar Surface Area: 89 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 162.0±5.0 cm3

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