ChemSpider 2D Image | 5-fluoro MPP-PICA | C24H27FN2O3

5-fluoro MPP-PICA

  • Molecular FormulaC24H27FN2O3
  • Average mass410.481 Da
  • Monoisotopic mass410.200562 Da
  • ChemSpider ID71117173

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5-fluoro MPP-PICA
L-Phenylalanine, N-[[1-(5-fluoropentyl)-1H-indol-3-yl]carbonyl]-, methyl ester [ACD/Index Name]
Methyl N-{[1-(5-fluoropentyl)-1H-indol-3-yl]carbonyl}-L-phenylalaninate [ACD/IUPAC Name]
Methyl-N-{[1-(5-fluorpentyl)-1H-indol-3-yl]carbonyl}-L-phenylalaninat [German] [ACD/IUPAC Name]
N-{[1-(5-Fluoropentyl)-1H-indol-3-yl]carbonyl}-L-phénylalaninate de méthyle [French] [ACD/IUPAC Name]
methyl (1-(5-fluoropentyl)-1H-indole-3-carbonyl)-L-phenylalaninate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 633.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.8±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 115.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 988.74
ACD/KOC (pH 5.5): 4847.07
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 988.74
ACD/KOC (pH 7.4): 4847.06
Polar Surface Area: 60 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 41.7±7.0 dyne/cm
Molar Volume: 351.7±7.0 cm3

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