ChemSpider 2D Image | (4Z)-2-[3,5-Bis(trifluoromethyl)phenyl]-4-(4-ethoxy-3-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one | C22H18F6N2O3

(4Z)-2-[3,5-Bis(trifluoromethyl)phenyl]-4-(4-ethoxy-3-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC22H18F6N2O3
  • Average mass472.380 Da
  • Monoisotopic mass472.122162 Da
  • ChemSpider ID28642648

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-2-[3,5-Bis(trifluormethyl)phenyl]-4-(4-ethoxy-3-methoxybenzyliden)-5-methyl-2,4-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
(4Z)-2-[3,5-Bis(trifluoromethyl)phenyl]-4-(4-ethoxy-3-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
(4Z)-2-[3,5-Bis(trifluorométhyl)phényl]-4-(4-éthoxy-3-méthoxybenzylidène)-5-méthyl-2,4-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
3H-Pyrazol-3-one, 2-[3,5-bis(trifluoromethyl)phenyl]-4-[(4-ethoxy-3-methoxyphenyl)methylene]-2,4-dihydro-5-methyl-, (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: 492.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.6±31.5 °C
Index of Refraction: 1.518
Molar Refractivity: 106.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 5.23
ACD/BCF (pH 5.5): 5571.22
ACD/KOC (pH 5.5): 16708.71
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 5571.22
ACD/KOC (pH 7.4): 16708.72
Polar Surface Area: 51 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 33.2±7.0 dyne/cm
Molar Volume: 352.2±7.0 cm3

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