ChemSpider 2D Image | 5-{(1S)-1-[3,5-Bis(trifluoromethyl)phenoxy]ethyl}-1,3-cyclohexanedione | C16H14F6O3

5-{(1S)-1-[3,5-Bis(trifluoromethyl)phenoxy]ethyl}-1,3-cyclohexanedione

  • Molecular FormulaC16H14F6O3
  • Average mass368.271 Da
  • Monoisotopic mass368.084717 Da
  • ChemSpider ID28527165

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3-Cyclohexanedione, 5-[(1S)-1-[3,5-bis(trifluoromethyl)phenoxy]ethyl]- [ACD/Index Name]
5-{(1S)-1-[3,5-Bis(trifluormethyl)phenoxy]ethyl}-1,3-cyclohexandion [German] [ACD/IUPAC Name]
5-{(1S)-1-[3,5-Bis(trifluoromethyl)phenoxy]ethyl}-1,3-cyclohexanedione [ACD/IUPAC Name]
5-{(1S)-1-[3,5-Bis(trifluorométhyl)phénoxy]éthyl}-1,3-cyclohexanedione [French] [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: 382.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 178.7±22.8 °C
Index of Refraction: 1.455
Molar Refractivity: 73.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 63.04
ACD/KOC (pH 5.5): 427.31
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 1.97
ACD/KOC (pH 7.4): 13.35
Polar Surface Area: 43 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 32.4±3.0 dyne/cm
Molar Volume: 270.5±3.0 cm3

Click to predict properties on the Chemicalize site


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