ChemSpider 2D Image | 3-[(2-Furylmethyl)sulfanyl]-4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2,5-dione | C23H16F3NO3S

3-[(2-Furylmethyl)sulfanyl]-4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2,5-dione

  • Molecular FormulaC23H16F3NO3S
  • Average mass443.438 Da
  • Monoisotopic mass443.080292 Da
  • ChemSpider ID32274951

More details:

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

1H-Pyrrole-2,5-dione, 3-[(2-furanylmethyl)thio]-4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
3-[(2-Furylmethyl)sulfanyl]-4-(4-methylphenyl)-1-[3-(trifluormethyl)phenyl]-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
3-[(2-Furylmethyl)sulfanyl]-4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-[(2-Furylméthyl)sulfanyl]-4-(4-méthylphényl)-1-[3-(trifluorométhyl)phényl]-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 545.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.6±30.1 °C
Index of Refraction: 1.637
Molar Refractivity: 111.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3130.24
ACD/KOC (pH 5.5): 11059.34
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3130.24
ACD/KOC (pH 7.4): 11059.34
Polar Surface Area: 76 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 309.0±5.0 cm3

Click to predict properties on the Chemicalize site


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