ChemSpider 2D Image | [3-(3-Fluorophenyl)-4-{[4-(4-fluorophenyl)-1-piperazinyl]methyl}-1-pyrrolidinyl](phenyl)methanone | C28H29F2N3O

[3-(3-Fluorophenyl)-4-{[4-(4-fluorophenyl)-1-piperazinyl]methyl}-1-pyrrolidinyl](phenyl)methanone

  • Molecular FormulaC28H29F2N3O
  • Average mass461.546 Da
  • Monoisotopic mass461.227875 Da
  • ChemSpider ID22729470

More details:

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

[3-(3-Fluorophenyl)-4-{[4-(4-fluorophenyl)-1-piperazinyl]methyl}-1-pyrrolidinyl](phenyl)methanone [ACD/IUPAC Name]
[3-(3-Fluorophényl)-4-{[4-(4-fluorophényl)-1-pipérazinyl]méthyl}-1-pyrrolidinyl](phényl)méthanone [French] [ACD/IUPAC Name]
[3-(3-Fluorphenyl)-4-{[4-(4-fluorphenyl)-1-piperazinyl]methyl}-1-pyrrolidinyl](phenyl)methanon [German] [ACD/IUPAC Name]
Methanone, [3-(3-fluorophenyl)-4-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-1-pyrrolidinyl]phenyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 606.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 320.8±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 128.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 66.84
ACD/KOC (pH 5.5): 317.45
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 921.66
ACD/KOC (pH 7.4): 4377.26
Polar Surface Area: 27 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 375.8±3.0 cm3

Click to predict properties on the Chemicalize site


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