ChemSpider 2D Image | 1-[5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanone | C5H3F3N2O2

1-[5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanone

  • Molecular FormulaC5H3F3N2O2
  • Average mass180.085 Da
  • Monoisotopic mass180.014664 Da
  • ChemSpider ID34446147

More details:

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

1-[5-(Trifluormethyl)-1,3,4-oxadiazol-2-yl]ethanon [German] [ACD/IUPAC Name]
1-[5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanone [ACD/IUPAC Name]
1-[5-(Trifluorométhyl)-1,3,4-oxadiazol-2-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]- [ACD/Index Name]
1-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)ethanone
1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethan-1-one
1260654-16-7 [RN]
MFCD11846962

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

Density: 1.5±0.1 g/cm3
Boiling Point: 162.3±50.0 °C at 760 mmHg
Vapour Pressure: 2.2±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.9±3.0 kJ/mol
Flash Point: 52.0±30.1 °C
Index of Refraction: 1.396
Molar Refractivity: 29.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.40
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.03
ACD/KOC (pH 5.5): 35.50
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.03
ACD/KOC (pH 7.4): 35.50
Polar Surface Area: 56 Å2
Polarizability: 11.8±0.5 10-24cm3
Surface Tension: 31.0±3.0 dyne/cm
Molar Volume: 123.7±3.0 cm3

Click to predict properties on the Chemicalize site


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