ChemSpider 2D Image | Methyl N-{[1-(5-fluoropentyl)-1H-indol-3-yl]carbonyl}-3-methyl-L-valinate | C21H29FN2O3

Methyl N-{[1-(5-fluoropentyl)-1H-indol-3-yl]carbonyl}-3-methyl-L-valinate

  • Molecular FormulaC21H29FN2O3
  • Average mass376.465 Da
  • Monoisotopic mass376.216217 Da
  • ChemSpider ID68003951
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

L-Valine, N-[[1-(5-fluoropentyl)-1H-indol-3-yl]carbonyl]-3-methyl-, methyl ester [ACD/Index Name]
Methyl N-{[1-(5-fluoropentyl)-1H-indol-3-yl]carbonyl}-3-methyl-L-valinate [ACD/IUPAC Name]
Methyl-N-{[1-(5-fluorpentyl)-1H-indol-3-yl]carbonyl}-3-methyl-L-valinat [German] [ACD/IUPAC Name]
N-{[1-(5-Fluoropentyl)-1H-indol-3-yl]carbonyl}-3-méthyl-L-valinate de méthyle [French] [ACD/IUPAC Name]
1971007-88-1 [RN]
5-fluoro MDMB-PICA
5-fluoro-mdmb-pica
MFCD30718371
N-[[1-(5-fluoropentyl)-1H-indol-3-yl]carbonyl]-3-methyl-L-valine, methyl ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 556.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 290.6±27.3 °C
Index of Refraction: 1.533
Molar Refractivity: 104.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 851.92
ACD/KOC (pH 5.5): 4356.92
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 851.92
ACD/KOC (pH 7.4): 4356.91
Polar Surface Area: 60 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 36.8±7.0 dyne/cm
Molar Volume: 334.9±7.0 cm3

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