ChemSpider 2D Image | 1-[4-Fluoro(~2~H_4_)phenyl]-4-[4-(2-methoxyphenyl)-1-piperazinyl]-1-butanone | C21H21D4FN2O2

1-[4-Fluoro(2H4)phenyl]-4-[4-(2-methoxyphenyl)-1-piperazinyl]-1-butanone

  • Molecular FormulaC21H21D4FN2O2
  • Average mass360.458 Da
  • Monoisotopic mass360.215118 Da
  • ChemSpider ID58793692

  • Non-standard isotope - Non-standard isotope

More details:

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

1-[4-Fluor(2H4)phenyl]-4-[4-(2-methoxyphenyl)-1-piperazinyl]-1-butanon [German] [ACD/IUPAC Name]
1-[4-Fluoro(2H4)phenyl]-4-[4-(2-methoxyphenyl)-1-piperazinyl]-1-butanone [ACD/IUPAC Name]
1-[4-Fluoro(2H4)phényl]-4-[4-(2-méthoxyphényl)-1-pipérazinyl]-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-(4-fluorophenyl-2,3,5,6-d4)-4-[4-(2-methoxyphenyl)-1-piperazinyl]- [ACD/Index Name]
1794737-47-5 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 511.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 263.3±30.1 °C
Index of Refraction: 1.558
Molar Refractivity: 100.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 5.00
ACD/KOC (pH 5.5): 33.26
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 173.21
ACD/KOC (pH 7.4): 1152.17
Polar Surface Area: 33 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 311.0±3.0 cm3

Click to predict properties on the Chemicalize site


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