ChemSpider 2D Image | 4-(4-(4-CHLOROPHENYL)-4-HYDROXYPIPERIDIN-1-YL)-1-(2-FLUOROPHENYL)BUTAN-1-ONE | C21H23ClFNO2

4-(4-(4-CHLOROPHENYL)-4-HYDROXYPIPERIDIN-1-YL)-1-(2-FLUOROPHENYL)BUTAN-1-ONE

  • Molecular FormulaC21H23ClFNO2
  • Average mass375.864 Da
  • Monoisotopic mass375.140137 Da
  • ChemSpider ID32698159

More details:






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

1391052-53-1 [RN]
1-Butanone, 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(2-fluorophenyl)- [ACD/Index Name]
4-(4-(4-CHLOROPHENYL)-4-HYDROXYPIPERIDIN-1-YL)-1-(2-FLUOROPHENYL)BUTAN-1-ONE
4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(2-fluorophenyl)-1-butanone [ACD/IUPAC Name]
4-[4-(4-Chlorophényl)-4-hydroxy-1-pipéridinyl]-1-(2-fluorophényl)-1-butanone [French] [ACD/IUPAC Name]
4-[4-(4-Chlorphenyl)-4-hydroxy-1-piperidinyl]-1-(2-fluorphenyl)-1-butanon [German] [ACD/IUPAC Name]
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-fluorophenyl)butan-1-one
4-defluoro-2-fluoro haloperidol

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

6ZQO8KXL92 [DBID]
UNII:6ZQO8KXL92 [DBID]
UNII-6ZQO8KXL92 [DBID]

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: 2.59
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.32
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 35.78
ACD/KOC (pH 7.4): 268.35
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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