ChemSpider 2D Image | 1-{4-[3-(Difluoromethoxy)benzoyl]-1-piperazinyl}-2-(4-nitrophenyl)ethanone | C20H19F2N3O5

1-{4-[3-(Difluoromethoxy)benzoyl]-1-piperazinyl}-2-(4-nitrophenyl)ethanone

  • Molecular FormulaC20H19F2N3O5
  • Average mass419.379 Da
  • Monoisotopic mass419.129272 Da
  • ChemSpider ID22365977

More details:

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

1-{4-[3-(Difluormethoxy)benzoyl]-1-piperazinyl}-2-(4-nitrophenyl)ethanon [German] [ACD/IUPAC Name]
1-{4-[3-(Difluoromethoxy)benzoyl]-1-piperazinyl}-2-(4-nitrophenyl)ethanone [ACD/IUPAC Name]
1-{4-[3-(Difluorométhoxy)benzoyl]-1-pipérazinyl}-2-(4-nitrophényl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[3-(difluoromethoxy)benzoyl]-1-piperazinyl]-2-(4-nitrophenyl)- [ACD/Index Name]
1-{4-[3-(DIFLUOROMETHOXY)BENZOYL]PIPERAZIN-1-YL}-2-(4-NITROPHENYL)ETHAN-1-ONE
1-{4-[3-(DIFLUOROMETHOXY)BENZOYL]PIPERAZIN-1-YL}-2-(4-NITROPHENYL)ETHANONE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 640.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.2±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 102.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.79
ACD/KOC (pH 5.5): 459.63
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.79
ACD/KOC (pH 7.4): 459.63
Polar Surface Area: 96 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 304.7±3.0 cm3

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