ChemSpider 2D Image | 2-{2,2-Bis[(trifluoromethyl)sulfonyl]vinyl}-1H-pyrrole | C8H5F6NO4S2

2-{2,2-Bis[(trifluoromethyl)sulfonyl]vinyl}-1H-pyrrole

  • Molecular FormulaC8H5F6NO4S2
  • Average mass357.250 Da
  • Monoisotopic mass356.956421 Da
  • ChemSpider ID57456153

More details:

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

1H-Pyrrole, 2-[2,2-bis[(trifluoromethyl)sulfonyl]ethenyl]- [ACD/Index Name]
2-{2,2-Bis[(trifluormethyl)sulfonyl]vinyl}-1H-pyrrol [German] [ACD/IUPAC Name]
2-{2,2-Bis[(trifluoromethyl)sulfonyl]vinyl}-1H-pyrrole [ACD/IUPAC Name]
2-{2,2-Bis[(trifluorométhyl)sulfonyl]vinyl}-1H-pyrrole [French] [ACD/IUPAC Name]
2-[2,2-Bis(trifluoromethanesulfonyl)ethenyl]-1H-pyrrole
58510-88-6 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 482.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 245.3±28.7 °C
Index of Refraction: 1.485
Molar Refractivity: 57.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 677.71
ACD/KOC (pH 5.5): 3698.80
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 677.71
ACD/KOC (pH 7.4): 3698.80
Polar Surface Area: 101 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 199.9±3.0 cm3

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