ChemSpider 2D Image | 1-(2-Fluoro-4-{[3-(trifluoromethyl)benzyl]oxy}benzyl)-3-azetidinecarboxylic acid | C19H17F4NO3

1-(2-Fluoro-4-{[3-(trifluoromethyl)benzyl]oxy}benzyl)-3-azetidinecarboxylic acid

  • Molecular FormulaC19H17F4NO3
  • Average mass383.337 Da
  • Monoisotopic mass383.114441 Da
  • ChemSpider ID24808654

More details:

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

1-(2-Fluor-4-{[3-(trifluormethyl)benzyl]oxy}benzyl)-3-azetidincarbonsäure [German] [ACD/IUPAC Name]
1-(2-Fluoro-4-{[3-(trifluoromethyl)benzyl]oxy}benzyl)-3-azetidinecarboxylic acid [ACD/IUPAC Name]
3-Azetidinecarboxylic acid, 1-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]- [ACD/Index Name]
Acide 1-(2-fluoro-4-{[3-(trifluorométhyl)benzyl]oxy}benzyl)-3-azétidinecarboxylique [French] [ACD/IUPAC Name]
Kinome_2428

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

Density: 1.4±0.1 g/cm3
Boiling Point: 457.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 230.2±28.7 °C
Index of Refraction: 1.559
Molar Refractivity: 88.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 1.25
ACD/KOC (pH 5.5): 8.00
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 1.19
ACD/KOC (pH 7.4): 7.56
Polar Surface Area: 50 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 275.0±3.0 cm3

Click to predict properties on the Chemicalize site


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