ChemSpider 2D Image | 5-fluoro EMB-PICA | C21H29FN2O3

5-fluoro EMB-PICA

  • Molecular FormulaC21H29FN2O3
  • Average mass376.465 Da
  • Monoisotopic mass376.216217 Da
  • ChemSpider ID84400588

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5-fluoro EMB-PICA
Ethyl N-{[1-(5-fluoropentyl)-1H-indol-3-yl]carbonyl}-L-valinate [ACD/IUPAC Name]
Ethyl-N-{[1-(5-fluorpentyl)-1H-indol-3-yl]carbonyl}-L-valinat [German] [ACD/IUPAC Name]
L-Valine, N-[[1-(5-fluoropentyl)-1H-indol-3-yl]carbonyl]-, ethyl ester [ACD/Index Name]
N-{[1-(5-Fluoropentyl)-1H-indol-3-yl]carbonyl}-L-valinate d'éthyle [French] [ACD/IUPAC Name]
2648861-83-8 [RN]
ethyl (1-(5-fluoropentyl)-1H-indole-3-carbonyl)-L-valinate
N-[[1-(5-Fluoropentyl)-1H-indol-3-yl]carbonyl]-L-valine, ethyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 562.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.7±27.3 °C
Index of Refraction: 1.540
Molar Refractivity: 103.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 809.72
ACD/KOC (pH 5.5): 4201.33
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 809.72
ACD/KOC (pH 7.4): 4201.32
Polar Surface Area: 60 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 37.5±7.0 dyne/cm
Molar Volume: 330.4±7.0 cm3

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