ChemSpider 2D Image | 2-[1-({2-[2-Methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}amino)pentylidene]-5-phenyl-1,3-cyclohexanedione | C29H31F3N2O3

2-[1-({2-[2-Methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}amino)pentylidene]-5-phenyl-1,3-cyclohexanedione

  • Molecular FormulaC29H31F3N2O3
  • Average mass512.563 Da
  • Monoisotopic mass512.228699 Da
  • ChemSpider ID3204631

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Cyclohexanedione, 2-[1-[[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]amino]pentylidene]-5-phenyl- [ACD/Index Name]
2-[1-({2-[2-Methyl-5-(trifluormethoxy)-1H-indol-3-yl]ethyl}amino)pentyliden]-5-phenyl-1,3-cyclohexandion [German] [ACD/IUPAC Name]
2-[1-({2-[2-Methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}amino)pentylidene]-5-phenyl-1,3-cyclohexanedione [ACD/IUPAC Name]
2-[1-({2-[2-Méthyl-5-(trifluorométhoxy)-1H-indol-3-yl]éthyl}amino)pentylidène]-5-phényl-1,3-cyclohexanedione [French] [ACD/IUPAC Name]
2-[({2-[2-methyl-5-(trifluoromethoxy)indol-3-yl]ethyl}amino)pentylidene]-5-phenylcyclohexane-1,3-dione
2-[1-({2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}amino)pentylidene]-5-phenylcyclohexane-1,3-dione
2-{1-[2-(2-Methyl-5-trifluoromethoxy-1H-indol-3-yl)-ethylamino]-pentylidene}-5-phenyl-cyclohexane-1,3-dione

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

A3143/0132881 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 645.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 344.1±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 136.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 6.10
ACD/BCF (pH 5.5): 25442.37
ACD/KOC (pH 5.5): 49493.33
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 25551.80
ACD/KOC (pH 7.4): 49706.21
Polar Surface Area: 71 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 410.2±3.0 cm3

Click to predict properties on the Chemicalize site


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