ChemSpider 2D Image | 5-fluoro EDMB-PICA | C22H31FN2O3

5-fluoro EDMB-PICA

  • Molecular FormulaC22H31FN2O3
  • Average mass390.491 Da
  • Monoisotopic mass390.231873 Da
  • ChemSpider ID84400586

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5-fluoro EDMB-PICA
Ethyl N-{[1-(5-fluoropentyl)-1H-indol-3-yl]carbonyl}-3-methyl-L-valinate [ACD/IUPAC Name]
Ethyl-N-{[1-(5-fluorpentyl)-1H-indol-3-yl]carbonyl}-3-methyl-L-valinat [German] [ACD/IUPAC Name]
L-Valine, N-[[1-(5-fluoropentyl)-1H-indol-3-yl]carbonyl]-3-methyl-, ethyl ester [ACD/Index Name]
N-{[1-(5-Fluoropentyl)-1H-indol-3-yl]carbonyl}-3-méthyl-L-valinate d'éthyle [French] [ACD/IUPAC Name]
2666934-54-7 [RN]
ethyl (S)-2-(1-(5-fluoropentyl)-1H-indole-3-carboxamido)-3,3-dimethylbutanoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 566.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 296.3±27.3 °C
Index of Refraction: 1.531
Molar Refractivity: 108.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1412.70
ACD/KOC (pH 5.5): 6257.55
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1412.70
ACD/KOC (pH 7.4): 6257.54
Polar Surface Area: 60 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 36.7±7.0 dyne/cm
Molar Volume: 350.9±7.0 cm3

Click to predict properties on the Chemicalize site


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