ChemSpider 2D Image | Ethyl 2-(3-{4-[bis(4-fluorophenyl)(hydroxy)methyl]-1-piperidinyl}propoxy)benzoate | C30H33F2NO4

Ethyl 2-(3-{4-[bis(4-fluorophenyl)(hydroxy)methyl]-1-piperidinyl}propoxy)benzoate

  • Molecular FormulaC30H33F2NO4
  • Average mass509.584 Da
  • Monoisotopic mass509.237762 Da
  • ChemSpider ID23115937

More details:

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

2-(3-{4-[Bis(4-fluorophényl)(hydroxy)méthyl]-1-pipéridinyl}propoxy)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[3-[4-[bis(4-fluorophenyl)hydroxymethyl]-1-piperidinyl]propoxy]-, ethyl ester [ACD/Index Name]
Ethyl 2-(3-{4-[bis(4-fluorophenyl)(hydroxy)methyl]-1-piperidinyl}propoxy)benzoate [ACD/IUPAC Name]
Ethyl-2-(3-{4-[bis(4-fluorphenyl)(hydroxy)methyl]-1-piperidinyl}propoxy)benzoat [German] [ACD/IUPAC Name]
2-(3-{4-[Bis-(4-fluoro-phenyl)-hydroxy-methyl]-piperidin-1-yl}-propoxy)-benzoic acid ethyl ester
ethyl 2-(3-{4-[bis(4-fluorophenyl)(hydroxy)methyl]piperidin-1-yl}propoxy)benzoate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL279635/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 629.8±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: 334.7±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 137.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 12.40
ACD/KOC (pH 5.5): 28.95
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 146.57
ACD/KOC (pH 7.4): 342.32
Polar Surface Area: 59 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 422.6±3.0 cm3

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