ChemSpider 2D Image | 5-fluoro EDMB-PINACA | C21H30FN3O3

5-fluoro EDMB-PINACA

  • Molecular FormulaC21H30FN3O3
  • Average mass391.480 Da
  • Monoisotopic mass391.227112 Da
  • ChemSpider ID68004011

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5-fluoro EDMB-PINACA
Ethyl N-{[1-(5-fluoropentyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valinate [ACD/IUPAC Name]
Ethyl-N-{[1-(5-fluorpentyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valinat [German] [ACD/IUPAC Name]
L-Valine, N-[[1-(5-fluoropentyl)-1H-indazol-3-yl]carbonyl]-3-methyl-, ethyl ester [ACD/Index Name]
N-{[1-(5-Fluoropentyl)-1H-indazol-3-yl]carbonyl}-3-méthyl-L-valinate d'éthyle [French] [ACD/IUPAC Name]
2504100-69-8 [RN]
36198-87-5 [RN]
5F-Edmb-pinaca
5F-EDMB-PINACAmissing
ethyl (S)-2-(1-(5-fluoropentyl)-1H-indazole-3-carboxamido)-3,3-dimethylbutanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 561.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.3±27.3 °C
Index of Refraction: 1.543
Molar Refractivity: 107.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 442.58
ACD/KOC (pH 5.5): 2726.48
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 442.42
ACD/KOC (pH 7.4): 2725.48
Polar Surface Area: 73 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 38.3±7.0 dyne/cm
Molar Volume: 339.5±7.0 cm3

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