ChemSpider 2D Image | 4-{[3,3-Bis(trifluoromethyl)-1-pyrrolidinyl]carbonyl}-1H-pyrrole-2-carbonitrile | C12H9F6N3O

4-{[3,3-Bis(trifluoromethyl)-1-pyrrolidinyl]carbonyl}-1H-pyrrole-2-carbonitrile

  • Molecular FormulaC12H9F6N3O
  • Average mass325.210 Da
  • Monoisotopic mass325.064972 Da
  • ChemSpider ID79424021

More details:

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

1H-Pyrrole-2-carbonitrile, 4-[[3,3-bis(trifluoromethyl)-1-pyrrolidinyl]carbonyl]- [ACD/Index Name]
4-{[3,3-Bis(trifluormethyl)-1-pyrrolidinyl]carbonyl}-1H-pyrrol-2-carbonitril [German] [ACD/IUPAC Name]
4-{[3,3-Bis(trifluoromethyl)-1-pyrrolidinyl]carbonyl}-1H-pyrrole-2-carbonitrile [ACD/IUPAC Name]
4-{[3,3-Bis(trifluorométhyl)-1-pyrrolidinyl]carbonyl}-1H-pyrrole-2-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 392.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 191.0±27.9 °C
Index of Refraction: 1.484
Molar Refractivity: 60.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.94
ACD/KOC (pH 5.5): 285.71
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.94
ACD/KOC (pH 7.4): 285.71
Polar Surface Area: 60 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 210.9±5.0 cm3

Click to predict properties on the Chemicalize site


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