ChemSpider 2D Image | 1-[4-(Benzyloxy)-1-piperidinyl]-3-(4-bromo-2-fluorophenyl)-1-propanone | C21H23BrFNO2

1-[4-(Benzyloxy)-1-piperidinyl]-3-(4-bromo-2-fluorophenyl)-1-propanone

  • Molecular FormulaC21H23BrFNO2
  • Average mass420.315 Da
  • Monoisotopic mass419.089600 Da
  • ChemSpider ID34281216

More details:

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

1-[4-(Benzyloxy)-1-piperidinyl]-3-(4-brom-2-fluorphenyl)-1-propanon [German] [ACD/IUPAC Name]
1-[4-(Benzyloxy)-1-piperidinyl]-3-(4-bromo-2-fluorophenyl)-1-propanone [ACD/IUPAC Name]
1-[4-(Benzyloxy)-1-pipéridinyl]-3-(4-bromo-2-fluorophényl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 3-(4-bromo-2-fluorophenyl)-1-[4-(phenylmethoxy)-1-piperidinyl]- [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: 536.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.5±30.1 °C
Index of Refraction: 1.600
Molar Refractivity: 104.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4507.22
ACD/KOC (pH 5.5): 14356.90
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 4507.22
ACD/KOC (pH 7.4): 14356.90
Polar Surface Area: 30 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 306.0±5.0 cm3

Click to predict properties on the Chemicalize site


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