ChemSpider 2D Image | 1-(3,4-Dimethylphenyl)-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione | C29H28F3N3O3

1-(3,4-Dimethylphenyl)-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione

  • Molecular FormulaC29H28F3N3O3
  • Average mass523.546 Da
  • Monoisotopic mass523.208252 Da
  • ChemSpider ID20213999

More details:

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

1-(3,4-Dimethylphenyl)-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(trifluormethyl)-3,5,6,7-tetrahydro-1H-indol-2,4-dion [German] [ACD/IUPAC Name]
1-(3,4-Dimethylphenyl)-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione [ACD/IUPAC Name]
1-(3,4-Diméthylphényl)-6,6-diméthyl-3-(5-méthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazol-4-yl)-3-(trifluorométhyl)-3,5,6,7-tétrahydro-1H-indole-2,4-dione [French] [ACD/IUPAC Name]
1H-Indole-2,4-dione, 3-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-1-(3,4-dimethylphenyl)-3,5,6,7-tetrahydro-6,6-dimethyl-3-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 641.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 341.9±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 135.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 8.21
ACD/LogD (pH 5.5): 5.62
ACD/BCF (pH 5.5): 11077.02
ACD/KOC (pH 5.5): 27326.68
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 11077.04
ACD/KOC (pH 7.4): 27326.71
Polar Surface Area: 70 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 382.0±5.0 cm3

Click to predict properties on the Chemicalize site


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