ChemSpider 2D Image | Ethyl (2S)-2-{4-[(4-bromobenzyl)oxy]phenyl}-3,3,3-trifluoro-2-hydroxypropanoate | C18H16BrF3O4

Ethyl (2S)-2-{4-[(4-bromobenzyl)oxy]phenyl}-3,3,3-trifluoro-2-hydroxypropanoate

  • Molecular FormulaC18H16BrF3O4
  • Average mass433.216 Da
  • Monoisotopic mass432.018402 Da
  • ChemSpider ID30651714

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-{4-[(4-Bromobenzyl)oxy]phényl}-3,3,3-trifluoro-2-hydroxypropanoate d'éthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[(4-bromophenyl)methoxy]-α-hydroxy-α-(trifluoromethyl)-, ethyl ester, (αS)- [ACD/Index Name]
Ethyl (2S)-2-{4-[(4-bromobenzyl)oxy]phenyl}-3,3,3-trifluoro-2-hydroxypropanoate [ACD/IUPAC Name]
Ethyl-(2S)-2-{4-[(4-brombenzyl)oxy]phenyl}-3,3,3-trifluor-2-hydroxypropanoat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 513.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 264.1±30.1 °C
Index of Refraction: 1.544
Molar Refractivity: 91.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 3331.44
ACD/KOC (pH 5.5): 11563.54
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 3324.60
ACD/KOC (pH 7.4): 11539.82
Polar Surface Area: 56 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 290.9±3.0 cm3

Click to predict properties on the Chemicalize site


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