ChemSpider 2D Image | 1-[4-(3-{3-[Bis(4-fluorophenyl)(hydroxy)methyl]-1-piperidinyl}propoxy)-3-methoxyphenyl]ethanone | C30H33F2NO4

1-[4-(3-{3-[Bis(4-fluorophenyl)(hydroxy)methyl]-1-piperidinyl}propoxy)-3-methoxyphenyl]ethanone

  • Molecular FormulaC30H33F2NO4
  • Average mass509.584 Da
  • Monoisotopic mass509.237762 Da
  • ChemSpider ID14601741

More details:

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

1-[4-(3-{3-[Bis(4-fluorophenyl)(hydroxy)methyl]-1-piperidinyl}propoxy)-3-methoxyphenyl]ethanone [ACD/IUPAC Name]
1-[4-(3-{3-[Bis(4-fluorophényl)(hydroxy)méthyl]-1-pipéridinyl}propoxy)-3-méthoxyphényl]éthanone [French] [ACD/IUPAC Name]
1-[4-(3-{3-[Bis(4-fluorphenyl)(hydroxy)methyl]-1-piperidinyl}propoxy)-3-methoxyphenyl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[4-[3-[3-[bis(4-fluorophenyl)hydroxymethyl]-1-piperidinyl]propoxy]-3-methoxyphenyl]- [ACD/Index Name]
1-[4-(3-{3-[bis(4-fluorophenyl)(hydroxy)methyl]piperidin-1-yl}propoxy)-3-methoxyphenyl]ethanone
1-[4-(3-{3-[Bis-(4-fluoro-phenyl)-hydroxy-methyl]-piperidin-1-yl}-propoxy)-3-methoxy-phenyl]-ethanone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 629.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 334.6±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 138.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 4.51
ACD/KOC (pH 5.5): 14.09
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 57.08
ACD/KOC (pH 7.4): 178.31
Polar Surface Area: 59 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 423.7±3.0 cm3

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