ChemSpider 2D Image | 1-{4-[4-Nitro-2-(trifluoromethyl)phenyl]-1-piperazinyl}ethanone | C13H14F3N3O3

1-{4-[4-Nitro-2-(trifluoromethyl)phenyl]-1-piperazinyl}ethanone

  • Molecular FormulaC13H14F3N3O3
  • Average mass317.264 Da
  • Monoisotopic mass317.098724 Da
  • ChemSpider ID24609229

More details:

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

1-{4-[4-Nitro-2-(trifluormethyl)phenyl]-1-piperazinyl}ethanon [German] [ACD/IUPAC Name]
1-{4-[4-Nitro-2-(trifluoromethyl)phenyl]-1-piperazinyl}ethanone [ACD/IUPAC Name]
1-{4-[4-Nitro-2-(trifluorométhyl)phényl]-1-pipérazinyl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[4-nitro-2-(trifluoromethyl)phenyl]-1-piperazinyl]- [ACD/Index Name]
1-(4-(4-nitro-2-(trifluoromethyl)phenyl)piperazin-1-yl)ethanone
1-{4-[4-NITRO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL}ETHAN-1-ONE
1-{4-[4-NITRO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL}ETHANONE
940860-26-4 [RN]
MFCD11039590 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 458.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 231.3±28.7 °C
Index of Refraction: 1.529
Molar Refractivity: 70.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.74
ACD/KOC (pH 5.5): 385.15
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.74
ACD/KOC (pH 7.4): 385.15
Polar Surface Area: 69 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 229.4±3.0 cm3

Click to predict properties on the Chemicalize site


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