ChemSpider 2D Image | 1-(4-{2-[3-(Trifluoromethyl)phenyl]ethyl}benzyl)-3-azetidinecarboxylic acid | C20H20F3NO2

1-(4-{2-[3-(Trifluoromethyl)phenyl]ethyl}benzyl)-3-azetidinecarboxylic acid

  • Molecular FormulaC20H20F3NO2
  • Average mass363.374 Da
  • Monoisotopic mass363.144623 Da
  • ChemSpider ID24808422

More details:

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

1-(4-{2-[3-(Trifluormethyl)phenyl]ethyl}benzyl)-3-azetidincarbonsäure [German] [ACD/IUPAC Name]
1-(4-{2-[3-(Trifluoromethyl)phenyl]ethyl}benzyl)-3-azetidinecarboxylic acid [ACD/IUPAC Name]
3-Azetidinecarboxylic acid, 1-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]- [ACD/Index Name]
Acide 1-(4-{2-[3-(trifluorométhyl)phényl]éthyl}benzyl)-3-azétidinecarboxylique [French] [ACD/IUPAC Name]
Kinome_3345

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

Density: 1.3±0.1 g/cm3
Boiling Point: 439.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 219.4±28.7 °C
Index of Refraction: 1.570
Molar Refractivity: 91.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 4.74
ACD/KOC (pH 5.5): 20.65
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 4.70
ACD/KOC (pH 7.4): 20.47
Polar Surface Area: 41 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 279.6±3.0 cm3

Click to predict properties on the Chemicalize site


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