ChemSpider 2D Image | [1-(4-Bromobenzoyl)-2-pyrrolidinyl][4-(2-fluorophenyl)-1-piperazinyl]methanone | C22H23BrFN3O2

[1-(4-Bromobenzoyl)-2-pyrrolidinyl][4-(2-fluorophenyl)-1-piperazinyl]methanone

  • Molecular FormulaC22H23BrFN3O2
  • Average mass460.339 Da
  • Monoisotopic mass459.095764 Da
  • ChemSpider ID70866661

More details:






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

[1-(4-Brombenzoyl)-2-pyrrolidinyl][4-(2-fluorphenyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
[1-(4-Bromobenzoyl)-2-pyrrolidinyl][4-(2-fluorophenyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
[1-(4-Bromobenzoyl)-2-pyrrolidinyl][4-(2-fluorophényl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [1-(4-bromobenzoyl)-2-pyrrolidinyl][4-(2-fluorophenyl)-1-piperazinyl]- [ACD/Index 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: 628.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 334.1±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 111.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 176.71
ACD/KOC (pH 5.5): 1413.07
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 176.74
ACD/KOC (pH 7.4): 1413.38
Polar Surface Area: 44 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 317.3±3.0 cm3

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