ChemSpider 2D Image | 5-Butyl-1-(1-hydroxyethyl)-4,6-dioxo-3-{3-[3-(trifluoromethyl)phenoxy]phenyl}octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid | C26H27F3N2O6

5-Butyl-1-(1-hydroxyethyl)-4,6-dioxo-3-{3-[3-(trifluoromethyl)phenoxy]phenyl}octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

  • Molecular FormulaC26H27F3N2O6
  • Average mass520.498 Da
  • Monoisotopic mass520.182129 Da
  • ChemSpider ID2646575

More details:

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

5-Butyl-1-(1-hydroxyethyl)-4,6-dioxo-3-{3-[3-(trifluormethyl)phenoxy]phenyl}octahydropyrrolo[3,4-c]pyrrol-1-carbonsäure [German] [ACD/IUPAC Name]
5-Butyl-1-(1-hydroxyethyl)-4,6-dioxo-3-{3-[3-(trifluoromethyl)phenoxy]phenyl}octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid [ACD/IUPAC Name]
Acide 5-butyl-1-(1-hydroxyéthyl)-4,6-dioxo-3-{3-[3-(trifluorométhyl)phénoxy]phényl}octahydropyrrolo[3,4-c]pyrrole-1-carboxylique [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, 5-butyloctahydro-1-(1-hydroxyethyl)-4,6-dioxo-3-[3-[3-(trifluoromethyl)phenoxy]phenyl]- [ACD/Index 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: 663.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 355.0±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 124.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 1.99
ACD/KOC (pH 5.5): 11.17
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 1.35
ACD/KOC (pH 7.4): 7.57
Polar Surface Area: 116 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 385.7±3.0 cm3

Click to predict properties on the Chemicalize site


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