Found 125 results

Search term: MF = 'C_{22}H_{24}FN_{3}'
ChemSpider 2D Image | 5-{[(3aS,6aS)-1-(2-Fluorobenzyl)hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]methyl}-1H-indole | C22H24FN3

5-{[(3aS,6aS)-1-(2-Fluorobenzyl)hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]methyl}-1H-indole

  • Molecular FormulaC22H24FN3
  • Average mass349.444 Da
  • Monoisotopic mass349.195435 Da
  • ChemSpider ID29691061

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Indole, 5-[[(3aS,6aS)-1-[(2-fluorophenyl)methyl]hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]methyl]- [ACD/Index Name]
5-{[(3aS,6aS)-1-(2-Fluorbenzyl)hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]methyl}-1H-indol [German] [ACD/IUPAC Name]
5-{[(3aS,6aS)-1-(2-Fluorobenzyl)hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]methyl}-1H-indole [ACD/IUPAC Name]
5-{[(3aS,6aS)-1-(2-Fluorobenzyl)hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]méthyl}-1H-indole [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 498.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 255.2±25.9 °C
Index of Refraction: 1.666
Molar Refractivity: 103.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.47
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 8.71
ACD/KOC (pH 7.4): 77.52
Polar Surface Area: 22 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 278.3±3.0 cm3

Click to predict properties on the Chemicalize site


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