ChemSpider 2D Image | MFCD00673279 | C21H19D4ClFNO2

MFCD00673279

  • Molecular FormulaC21H19D4ClFNO2
  • Average mass379.889 Da
  • Monoisotopic mass379.165253 Da
  • ChemSpider ID24022478
  • Non-standard isotope - Non-standard isotope


More details:






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

136765-35-0 [RN]
1-Butanone, 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl-2,3,5,6-d4)- [ACD/Index Name]
200-659-6 [EINECS]
4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-[4-fluoro(2H4)phenyl]-1-butanone [ACD/IUPAC Name]
4-[4-(4-Chlorophényl)-4-hydroxy-1-pipéridinyl]-1-[4-fluoro(2H4)phényl]-1-butanone [French] [ACD/IUPAC Name]
4-[4-(4-Chlorphenyl)-4-hydroxy-1-piperidinyl]-1-[4-fluor(2H4)phenyl]-1-butanon [German] [ACD/IUPAC Name]
Haloperidol D4
MFCD00673279
1-Butanone,4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl-2,3,5,6-d4)-(9CI)
4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(2,3,5,6-tetradeuterio-4-fluoro-phenyl)butan-1-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 529.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 273.8±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 101.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.56
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 38.78
ACD/KOC (pH 7.4): 277.99
Polar Surface Area: 41 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 303.3±3.0 cm3

Click to predict properties on the Chemicalize site






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