ChemSpider 2D Image | 1-[(Benzyloxy)methyl]-5-(2-methyl-2-propanyl)-4,6-dioxo-3-[4-(trifluoromethoxy)phenyl]octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid | C26H27F3N2O6

1-[(Benzyloxy)methyl]-5-(2-methyl-2-propanyl)-4,6-dioxo-3-[4-(trifluoromethoxy)phenyl]octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

  • Molecular FormulaC26H27F3N2O6
  • Average mass520.498 Da
  • Monoisotopic mass520.182129 Da
  • ChemSpider ID4361222

More details:

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

1-[(Benzyloxy)methyl]-5-(2-methyl-2-propanyl)-4,6-dioxo-3-[4-(trifluormethoxy)phenyl]octahydropyrrolo[3,4-c]pyrrol-1-carbonsäure [German] [ACD/IUPAC Name]
1-[(Benzyloxy)methyl]-5-(2-methyl-2-propanyl)-4,6-dioxo-3-[4-(trifluoromethoxy)phenyl]octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid [ACD/IUPAC Name]
Acide 1-[(benzyloxy)méthyl]-5-(2-méthyl-2-propanyl)-4,6-dioxo-3-[4-(trifluorométhoxy)phényl]octahydropyrrolo[3,4-c]pyrrole-1-carboxylique [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, 5-(1,1-dimethylethyl)octahydro-4,6-dioxo-1-[(phenylmethoxy)methyl]-3-[4-(trifluoromethoxy)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: 624.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 331.3±31.5 °C
Index of Refraction: 1.551
Molar Refractivity: 124.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 9.21
ACD/KOC (pH 5.5): 33.54
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 3.74
ACD/KOC (pH 7.4): 13.64
Polar Surface Area: 105 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 389.2±3.0 cm3

Click to predict properties on the Chemicalize site


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