ChemSpider 2D Image | (2S)-3-Phenyl-2-{[2'-(trifluoromethyl)-4-biphenylyl]oxy}propanoic acid | C22H17F3O3

(2S)-3-Phenyl-2-{[2'-(trifluoromethyl)-4-biphenylyl]oxy}propanoic acid

  • Molecular FormulaC22H17F3O3
  • Average mass386.364 Da
  • Monoisotopic mass386.112976 Da
  • ChemSpider ID29394554

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-Phenyl-2-{[2'-(trifluormethyl)-4-biphenylyl]oxy}propansäure [German] [ACD/IUPAC Name]
(2S)-3-Phenyl-2-{[2'-(trifluoromethyl)-4-biphenylyl]oxy}propanoic acid [ACD/IUPAC Name]
Acide (2S)-3-phényl-2-{[2'-(trifluorométhyl)-4-biphénylyl]oxy}propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[2'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy]-, (αS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 517.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 266.9±30.1 °C
Index of Refraction: 1.563
Molar Refractivity: 97.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 46.73
ACD/KOC (pH 5.5): 116.91
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 2.44
ACD/KOC (pH 7.4): 6.11
Polar Surface Area: 47 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 300.9±3.0 cm3

Click to predict properties on the Chemicalize site


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