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

Methyl 4-(3-{4-[bis(4-fluorophenyl)methyl]-1-piperidinyl}propoxy)-3-methoxybenzoate

  • Molecular FormulaC30H33F2NO4
  • Average mass509.584 Da
  • Monoisotopic mass509.237762 Da
  • ChemSpider ID23188597

More details:

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

4-(3-{4-[Bis(4-fluorophényl)méthyl]-1-pipéridinyl}propoxy)-3-méthoxybenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[3-[4-[bis(4-fluorophenyl)methyl]-1-piperidinyl]propoxy]-3-methoxy-, methyl ester [ACD/Index Name]
Methyl 4-(3-{4-[bis(4-fluorophenyl)methyl]-1-piperidinyl}propoxy)-3-methoxybenzoate [ACD/IUPAC Name]
methyl 4-(3-{4-[bis(4-fluorophenyl)methyl]piperidin-1-yl}propoxy)-3-methoxybenzoate
Methyl-4-(3-{4-[bis(4-fluorphenyl)methyl]-1-piperidinyl}propoxy)-3-methoxybenzoat [German] [ACD/IUPAC Name]
4-(3-{4-[Bis-(4-fluoro-phenyl)-methyl]-piperidin-1-yl}-propoxy)-3-methoxy-benzoic acid methyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 606.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 320.5±31.5 °C
Index of Refraction: 1.555
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 44.01
ACD/KOC (pH 5.5): 72.44
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 621.96
ACD/KOC (pH 7.4): 1023.64
Polar Surface Area: 48 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 432.4±3.0 cm3

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