ChemSpider 2D Image | 4-fluoro EMB-BUTICA | C20H27FN2O3

4-fluoro EMB-BUTICA

  • Molecular FormulaC20H27FN2O3
  • Average mass362.438 Da
  • Monoisotopic mass362.200562 Da
  • ChemSpider ID97091877

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-fluoro EMB-BUTICA
Ethyl-N-{[1-(4-fluorbutyl)-1H-indol-3-yl]carbonyl}-L-valinat [German] [ACD/IUPAC Name]
N-{[1-(4-Fluorobutyl)-1H-indol-3-yl]carbonyl}-L-valinate d'éthyle [French] [ACD/IUPAC Name]
ethyl (1-(4-fluorobutyl)-1H-indole-3-carbonyl)-L-valinate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 552.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.2±27.3 °C
Index of Refraction: 1.543
Molar Refractivity: 99.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 302.13
ACD/KOC (pH 5.5): 2074.57
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 302.13
ACD/KOC (pH 7.4): 2074.56
Polar Surface Area: 60 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 37.7±7.0 dyne/cm
Molar Volume: 314.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement