ChemSpider 2D Image | (S)-Cyano(3-phenoxyphenyl)methyl (1R,3S)-3-{(1E)-3-[(1,1,1,3,3,3-hexafluoro-2-propanyl)oxy]-3-oxo-1-propen-1-yl}-2-methyl-2-(~14~C)methylcyclopropanecarboxylate | C2514CH21F6NO5

(S)-Cyano(3-phenoxyphenyl)methyl (1R,3S)-3-{(1E)-3-[(1,1,1,3,3,3-hexafluoro-2-propanyl)oxy]-3-oxo-1-propen-1-yl}-2-methyl-2-(14C)methylcyclopropanecarboxylate

  • Molecular FormulaC2514CH21F6NO5
  • Average mass543.432 Da
  • Monoisotopic mass543.135620 Da
  • ChemSpider ID71048346

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,3S)-3-{(1E)-3-[(1,1,1,3,3,3-Hexafluoro-2-propanyl)oxy]-3-oxo-1-propén-1-yl}-2-méthyl-2-(14C)méthylcyclopropanecarboxylate de (S)-cyano(3-phénoxyphényl)méthyle [French] [ACD/IUPAC Name]
(S)-Cyan(3-phenoxyphenyl)methyl-(1R,3S)-3-{(1E)-3-[(1,1,1,3,3,3-hexafluor-2-propanyl)oxy]-3-oxo-1-propen-1-yl}-2-methyl-2-(14C)methylcyclopropancarboxylat [German] [ACD/IUPAC Name]
(S)-Cyano(3-phenoxyphenyl)methyl (1R,3S)-3-{(1E)-3-[(1,1,1,3,3,3-hexafluoro-2-propanyl)oxy]-3-oxo-1-propen-1-yl}-2-methyl-2-(14C)methylcyclopropanecarboxylate [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2-methyl-2-(methyl-14C)-3-[(1E)-3-oxo-3-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1-propen-1-yl]-, (S)-cyano(3-phenoxyphenyl)methyl ester, (1R,3S)- [ACD/Index Name]
Spike compound 0000651

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.532
Molar Refractivity: 121.9±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 393.2±3.0 cm3

Click to predict properties on the Chemicalize site


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