ChemSpider 2D Image | (4Z)-4-(3-Ethoxy-4-isopropoxybenzylidene)-5-methyl-2-(pentafluorophenyl)-2,4-dihydro-3H-pyrazol-3-one | C22H19F5N2O3

(4Z)-4-(3-Ethoxy-4-isopropoxybenzylidene)-5-methyl-2-(pentafluorophenyl)-2,4-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC22H19F5N2O3
  • Average mass454.390 Da
  • Monoisotopic mass454.131592 Da
  • ChemSpider ID79564359

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-4-(3-Ethoxy-4-isopropoxybenzyliden)-5-methyl-2-(pentafluorphenyl)-2,4-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
(4Z)-4-(3-Ethoxy-4-isopropoxybenzylidene)-5-methyl-2-(pentafluorophenyl)-2,4-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
(4Z)-4-(3-Éthoxy-4-isopropoxybenzylidène)-5-méthyl-2-(pentafluorophényl)-2,4-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
3H-Pyrazol-3-one, 4-[[3-ethoxy-4-(1-methylethoxy)phenyl]methylene]-2,4-dihydro-5-methyl-2-(2,3,4,5,6-pentafluorophenyl)-, (4Z)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 511.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 262.9±32.9 °C
Index of Refraction: 1.537
Molar Refractivity: 105.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1659.49
ACD/KOC (pH 5.5): 7021.90
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1659.49
ACD/KOC (pH 7.4): 7021.90
Polar Surface Area: 51 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 32.8±7.0 dyne/cm
Molar Volume: 337.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement