ChemSpider 2D Image | 2,3,5,6-Tetrafluoro-4-methylbenzyl (1R,3S)-3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropanecarboxylate | C17H14ClF7O2

2,3,5,6-Tetrafluoro-4-methylbenzyl (1R,3S)-3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropanecarboxylate

  • Molecular FormulaC17H14ClF7O2
  • Average mass418.734 Da
  • Monoisotopic mass418.057068 Da
  • ChemSpider ID78432929

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,3S)-3-(2-Chloro-3,3,3-trifluoro-1-propén-1-yl)-2,2-diméthylcyclopropanecarboxylate de 2,3,5,6-tétrafluoro-4-méthylbenzyle [French] [ACD/IUPAC Name]
2,3,5,6-Tetrafluor-4-methylbenzyl-(1R,3S)-3-(2-chlor-3,3,3-trifluor-1-propen-1-yl)-2,2-dimethylcyclopropancarboxylat [German] [ACD/IUPAC Name]
2,3,5,6-Tetrafluoro-4-methylbenzyl (1R,3S)-3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropanecarboxylate [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, (1R,3S)- [ACD/Index 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: 357.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 107.3±17.0 °C
Index of Refraction: 1.500
Molar Refractivity: 84.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 5.88
ACD/BCF (pH 5.5): 17424.94
ACD/KOC (pH 5.5): 37793.52
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 17424.94
ACD/KOC (pH 7.4): 37793.52
Polar Surface Area: 26 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 286.5±3.0 cm3

Click to predict properties on the Chemicalize site


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