ChemSpider 2D Image | 2-Methoxyethyl (2R)-2-cyano-2-[4-(2-methyl-2-propanyl)phenyl]-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate | C24H24F3NO4

2-Methoxyethyl (2R)-2-cyano-2-[4-(2-methyl-2-propanyl)phenyl]-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate

  • Molecular FormulaC24H24F3NO4
  • Average mass447.447 Da
  • Monoisotopic mass447.165741 Da
  • ChemSpider ID27473896

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Cyano-2-[4-(2-méthyl-2-propanyl)phényl]-3-oxo-3-[2-(trifluorométhyl)phényl]propanoate de 2-méthoxyéthyle [French] [ACD/IUPAC Name]
2-Methoxyethyl (2R)-2-cyano-2-[4-(2-methyl-2-propanyl)phenyl]-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate [ACD/IUPAC Name]
2-Methoxyethyl-(2R)-2-cyan-2-[4-(2-methyl-2-propanyl)phenyl]-3-oxo-3-[2-(trifluormethyl)phenyl]propanoat [German] [ACD/IUPAC Name]
Benzenepropanoic acid, α-cyano-α-[4-(1,1-dimethylethyl)phenyl]-β-oxo-2-(trifluoromethyl)-, 2-methoxyethyl ester, (αR)- [ACD/Index Name]
(R)-cyflumetofen
2-methoxyethyl (2R)-2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 533.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.6±30.1 °C
Index of Refraction: 1.511
Molar Refractivity: 110.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 13195.60
ACD/KOC (pH 5.5): 30973.59
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 13195.60
ACD/KOC (pH 7.4): 30973.59
Polar Surface Area: 76 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 368.5±3.0 cm3

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