ChemSpider 2D Image | 3-[4-(4-Chloro-2-fluorobenzoyl)-1-piperazinyl]propanenitrile | C14H15ClFN3O

3-[4-(4-Chloro-2-fluorobenzoyl)-1-piperazinyl]propanenitrile

  • Molecular FormulaC14H15ClFN3O
  • Average mass295.740 Da
  • Monoisotopic mass295.088776 Da
  • ChemSpider ID35332658

More details:

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

1-Piperazinepropanenitrile, 4-(4-chloro-2-fluorobenzoyl)- [ACD/Index Name]
3-[4-(4-Chlor-2-fluorbenzoyl)-1-piperazinyl]propannitril [German] [ACD/IUPAC Name]
3-[4-(4-Chloro-2-fluorobenzoyl)-1-piperazinyl]propanenitrile [ACD/IUPAC Name]
3-[4-(4-Chloro-2-fluorobenzoyl)-1-pipérazinyl]propanenitrile [French] [ACD/IUPAC Name]
3-[4-(4-CHLORO-2-FLUOROBENZOYL)PIPERAZIN-1-YL]PROPANENITRILE
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4527384/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 481.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 245.2±28.7 °C
Index of Refraction: 1.559
Molar Refractivity: 74.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.05
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.96
ACD/KOC (pH 5.5): 45.90
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 3.98
ACD/KOC (pH 7.4): 93.14
Polar Surface Area: 47 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 229.2±3.0 cm3

Click to predict properties on the Chemicalize site


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