ChemSpider 2D Image | [4-(4-Fluorophenyl)-1-piperazinyl][(1R,2R)-2-phenylcyclopropyl]methanone | C20H21FN2O

[4-(4-Fluorophenyl)-1-piperazinyl][(1R,2R)-2-phenylcyclopropyl]methanone

  • Molecular FormulaC20H21FN2O
  • Average mass324.392 Da
  • Monoisotopic mass324.163788 Da
  • ChemSpider ID70862269

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[4-(4-Fluorophenyl)-1-piperazinyl][(1R,2R)-2-phenylcyclopropyl]methanone [ACD/IUPAC Name]
[4-(4-Fluorophényl)-1-pipérazinyl][(1R,2R)-2-phénylcyclopropyl]méthanone [French] [ACD/IUPAC Name]
[4-(4-Fluorphenyl)-1-piperazinyl][(1R,2R)-2-phenylcyclopropyl]methanon [German] [ACD/IUPAC Name]
Methanone, [4-(4-fluorophenyl)-1-piperazinyl][(1R,2R)-2-phenylcyclopropyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 519.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 267.8±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 90.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 187.38
ACD/KOC (pH 5.5): 1471.33
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 188.46
ACD/KOC (pH 7.4): 1479.77
Polar Surface Area: 24 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 261.7±3.0 cm3

Click to predict properties on the Chemicalize site


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