Found 606 results

Search term: MF = 'C_{13}H_{10}F_{2}N_{2}'
ChemSpider 2D Image | 3-(2,5-Dimethyl-1H-pyrrol-1-yl)-2,6-difluorobenzonitrile | C13H10F2N2

3-(2,5-Dimethyl-1H-pyrrol-1-yl)-2,6-difluorobenzonitrile

  • Molecular FormulaC13H10F2N2
  • Average mass232.229 Da
  • Monoisotopic mass232.081207 Da
  • ChemSpider ID21634232

More details:

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

3-(2,5-Dimethyl-1H-pyrrol-1-yl)-2,6-difluorbenzonitril [German] [ACD/IUPAC Name]
3-(2,5-Dimethyl-1H-pyrrol-1-yl)-2,6-difluorobenzonitrile [ACD/IUPAC Name]
3-(2,5-Diméthyl-1H-pyrrol-1-yl)-2,6-difluorobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-2,6-difluoro- [ACD/Index Name]
3-(2,5-Dimethyl-pyrrol-1-yl)-2,6-difluoro-benzonitrile
3-(2,5-dimethylpyrrolyl)-2,6-difluorobenzenecarbonitrile

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

Density: 1.2±0.1 g/cm3
Boiling Point: 324.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.7±3.0 kJ/mol
Flash Point: 150.2±27.9 °C
Index of Refraction: 1.550
Molar Refractivity: 62.6±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 122.74
ACD/KOC (pH 5.5): 1088.67
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 122.74
ACD/KOC (pH 7.4): 1088.67
Polar Surface Area: 29 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 33.6±7.0 dyne/cm
Molar Volume: 196.5±7.0 cm3

Click to predict properties on the Chemicalize site


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