ChemSpider 2D Image | 2-(2,6-Difluorophenyl)-1-[4-(3,5-diphenyl-1-pyrazolidinyl)-1-piperidinyl]ethanone | C28H29F2N3O

2-(2,6-Difluorophenyl)-1-[4-(3,5-diphenyl-1-pyrazolidinyl)-1-piperidinyl]ethanone

  • Molecular FormulaC28H29F2N3O
  • Average mass461.546 Da
  • Monoisotopic mass461.227875 Da
  • ChemSpider ID109980049

More details:

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

2-(2,6-Difluorophenyl)-1-[4-(3,5-diphenyl-1-pyrazolidinyl)-1-piperidinyl]ethanone [ACD/IUPAC Name]
2-(2,6-Difluorophényl)-1-[4-(3,5-diphényl-1-pyrazolidinyl)-1-pipéridinyl]éthanone [French] [ACD/IUPAC Name]
2-(2,6-Difluorphenyl)-1-[4-(3,5-diphenyl-1-pyrazolidinyl)-1-piperidinyl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 2-(2,6-difluorophenyl)-1-[4-(3,5-diphenyl-1-pyrazolidinyl)-1-piperidinyl]- [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: 620.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 328.8±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 128.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 12.49
ACD/KOC (pH 5.5): 61.05
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 485.05
ACD/KOC (pH 7.4): 2370.62
Polar Surface Area: 36 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 375.7±3.0 cm3

Click to predict properties on the Chemicalize site


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