ChemSpider 2D Image | Ethyl 3-({1-[3,5-bis(trifluoromethyl)benzoyl]-3-azetidinyl}oxy)benzoate | C21H17F6NO4

Ethyl 3-({1-[3,5-bis(trifluoromethyl)benzoyl]-3-azetidinyl}oxy)benzoate

  • Molecular FormulaC21H17F6NO4
  • Average mass461.354 Da
  • Monoisotopic mass461.106171 Da
  • ChemSpider ID123123125

More details:

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

3-({1-[3,5-Bis(trifluorométhyl)benzoyl]-3-azétidinyl}oxy)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[1-[3,5-bis(trifluoromethyl)benzoyl]-3-azetidinyl]oxy]-, ethyl ester [ACD/Index Name]
Ethyl 3-({1-[3,5-bis(trifluoromethyl)benzoyl]-3-azetidinyl}oxy)benzoate [ACD/IUPAC Name]
Ethyl-3-({1-[3,5-bis(trifluormethyl)benzoyl]-3-azetidinyl}oxy)benzoat [German] [ACD/IUPAC 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: 492.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.6±28.7 °C
Index of Refraction: 1.516
Molar Refractivity: 99.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1809.08
ACD/KOC (pH 5.5): 7469.41
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1809.08
ACD/KOC (pH 7.4): 7469.41
Polar Surface Area: 56 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 330.0±3.0 cm3

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