ChemSpider 2D Image | (4E)-4-(1,3-Benzodioxol-5-ylmethylene)-5-methyl-2-(pentafluorophenyl)-2,4-dihydro-3H-pyrazol-3-one | C18H9F5N2O3

(4E)-4-(1,3-Benzodioxol-5-ylmethylene)-5-methyl-2-(pentafluorophenyl)-2,4-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC18H9F5N2O3
  • Average mass396.268 Da
  • Monoisotopic mass396.053345 Da
  • ChemSpider ID79563150

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-(1,3-Benzodioxol-5-ylmethylen)-5-methyl-2-(pentafluorphenyl)-2,4-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
(4E)-4-(1,3-Benzodioxol-5-ylmethylene)-5-methyl-2-(pentafluorophenyl)-2,4-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
(4E)-4-(1,3-Benzodioxol-5-ylméthylène)-5-méthyl-2-(pentafluorophényl)-2,4-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
3H-Pyrazol-3-one, 4-(1,3-benzodioxol-5-ylmethylene)-2,4-dihydro-5-methyl-2-(2,3,4,5,6-pentafluorophenyl)-, (4E)- [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: 469.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 237.5±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 85.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 165.95
ACD/KOC (pH 5.5): 1351.01
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 165.95
ACD/KOC (pH 7.4): 1351.01
Polar Surface Area: 51 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 39.7±7.0 dyne/cm
Molar Volume: 247.6±7.0 cm3

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