ChemSpider 2D Image | {1-[3,5-Bis(trifluoromethyl)benzoyl]-2-pyrrolidinyl}[4-(2-pyridinyl)-1-piperazinyl]methanone | C23H22F6N4O2

{1-[3,5-Bis(trifluoromethyl)benzoyl]-2-pyrrolidinyl}[4-(2-pyridinyl)-1-piperazinyl]methanone

  • Molecular FormulaC23H22F6N4O2
  • Average mass500.437 Da
  • Monoisotopic mass500.164703 Da
  • ChemSpider ID118256046

More details:

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

{1-[3,5-Bis(trifluormethyl)benzoyl]-2-pyrrolidinyl}[4-(2-pyridinyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
{1-[3,5-Bis(trifluoromethyl)benzoyl]-2-pyrrolidinyl}[4-(2-pyridinyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
{1-[3,5-Bis(trifluorométhyl)benzoyl]-2-pyrrolidinyl}[4-(2-pyridinyl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [1-[3,5-bis(trifluoromethyl)benzoyl]-2-pyrrolidinyl][4-(2-pyridinyl)-1-piperazinyl]- [ACD/Index 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: 602.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 317.9±31.5 °C
Index of Refraction: 1.542
Molar Refractivity: 112.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 7.78
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 20.04
ACD/KOC (pH 7.4): 143.49
Polar Surface Area: 57 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 357.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement