ChemSpider 2D Image | [3-(Allyloxy)phenyl][3-(2,4-difluorobenzyl)-3-(hydroxymethyl)-1-piperidinyl]methanone | C23H25F2NO3

[3-(Allyloxy)phenyl][3-(2,4-difluorobenzyl)-3-(hydroxymethyl)-1-piperidinyl]methanone

  • Molecular FormulaC23H25F2NO3
  • Average mass401.446 Da
  • Monoisotopic mass401.180237 Da
  • ChemSpider ID22139313

More details:

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

[3-(Allyloxy)phenyl][3-(2,4-difluorbenzyl)-3-(hydroxymethyl)-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
[3-(Allyloxy)phenyl][3-(2,4-difluorobenzyl)-3-(hydroxymethyl)-1-piperidinyl]methanone [ACD/IUPAC Name]
[3-(Allyloxy)phényl][3-(2,4-difluorobenzyl)-3-(hydroxyméthyl)-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidinyl][3-(2-propen-1-yloxy)phenyl]- [ACD/Index Name]
[1-[3-(allyloxy)benzoyl]-3-(2,4-difluorobenzyl)-3-piperidinyl]methanol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 549.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 286.3±28.7 °C
Index of Refraction: 1.563
Molar Refractivity: 107.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 223.24
ACD/KOC (pH 5.5): 1670.53
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 223.24
ACD/KOC (pH 7.4): 1670.53
Polar Surface Area: 50 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 330.4±3.0 cm3

Click to predict properties on the Chemicalize site


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