ChemSpider 2D Image | (2E)-3-[2-(Difluoromethoxy)phenyl]-1-{4-[4-(trifluoromethyl)benzoyl]-1-piperazinyl}-2-propen-1-one | C22H19F5N2O3

(2E)-3-[2-(Difluoromethoxy)phenyl]-1-{4-[4-(trifluoromethyl)benzoyl]-1-piperazinyl}-2-propen-1-one

  • Molecular FormulaC22H19F5N2O3
  • Average mass454.390 Da
  • Monoisotopic mass454.131592 Da
  • ChemSpider ID33643105

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[2-(Difluormethoxy)phenyl]-1-{4-[4-(trifluormethyl)benzoyl]-1-piperazinyl}-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-[2-(Difluoromethoxy)phenyl]-1-{4-[4-(trifluoromethyl)benzoyl]-1-piperazinyl}-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-[2-(Difluorométhoxy)phényl]-1-{4-[4-(trifluorométhyl)benzoyl]-1-pipérazinyl}-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-[2-(difluoromethoxy)phenyl]-1-[4-[4-(trifluoromethyl)benzoyl]-1-piperazinyl]-, (2E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 590.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 311.0±30.1 °C
Index of Refraction: 1.554
Molar Refractivity: 107.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 149.86
ACD/KOC (pH 5.5): 1255.91
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 149.86
ACD/KOC (pH 7.4): 1255.91
Polar Surface Area: 50 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 334.5±3.0 cm3

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