ChemSpider 2D Image | 4-{2-[5-(3,5-Difluorophenyl)-2-methyl-3-thienyl]-3,3,4,4,5,5-hexafluoro-1-cyclopenten-1-yl}-1,5-dimethyl-1H-pyrrole-2-carbonitrile | C23H14F8N2S

4-{2-[5-(3,5-Difluorophenyl)-2-methyl-3-thienyl]-3,3,4,4,5,5-hexafluoro-1-cyclopenten-1-yl}-1,5-dimethyl-1H-pyrrole-2-carbonitrile

  • Molecular FormulaC23H14F8N2S
  • Average mass502.423 Da
  • Monoisotopic mass502.074982 Da
  • ChemSpider ID30656580

More details:

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

1H-Pyrrole-2-carbonitrile, 4-[2-[5-(3,5-difluorophenyl)-2-methyl-3-thienyl]-3,3,4,4,5,5-hexafluoro-1-cyclopenten-1-yl]-1,5-dimethyl- [ACD/Index Name]
4-{2-[5-(3,5-Difluorophenyl)-2-methyl-3-thienyl]-3,3,4,4,5,5-hexafluoro-1-cyclopenten-1-yl}-1,5-dimethyl-1H-pyrrole-2-carbonitrile [ACD/IUPAC Name]
4-{2-[5-(3,5-Difluorophényl)-2-méthyl-3-thiényl]-3,3,4,4,5,5-hexafluoro-1-cyclopentén-1-yl}-1,5-diméthyl-1H-pyrrole-2-carbonitrile [French] [ACD/IUPAC Name]
4-{2-[5-(3,5-Difluorphenyl)-2-methyl-3-thienyl]-3,3,4,4,5,5-hexafluor-1-cyclopenten-1-yl}-1,5-dimethyl-1H-pyrrol-2-carbonitril [German] [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: 509.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 262.0±30.1 °C
Index of Refraction: 1.559
Molar Refractivity: 112.0±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 15770.72
ACD/KOC (pH 5.5): 35189.22
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 15770.72
ACD/KOC (pH 7.4): 35189.22
Polar Surface Area: 57 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 33.9±7.0 dyne/cm
Molar Volume: 347.2±7.0 cm3

Click to predict properties on the Chemicalize site


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