ChemSpider 2D Image | (S)-Cyano(3-phenoxyphenyl)methyl N-[2-chloro-4-(trifluoromethyl)phenyl]-L-valinate | C26H22ClF3N2O3

(S)-Cyano(3-phenoxyphenyl)methyl N-[2-chloro-4-(trifluoromethyl)phenyl]-L-valinate

  • Molecular FormulaC26H22ClF3N2O3
  • Average mass502.913 Da
  • Monoisotopic mass502.127106 Da
  • ChemSpider ID34996331

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(S)-Cyan(3-phenoxyphenyl)methyl-N-[2-chlor-4-(trifluormethyl)phenyl]-L-valinat [German] [ACD/IUPAC Name]
(S)-Cyano(3-phenoxyphenyl)methyl N-[2-chloro-4-(trifluoromethyl)phenyl]-L-valinate [ACD/IUPAC Name]
L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]-, (S)-cyano(3-phenoxyphenyl)methyl ester [ACD/Index Name]
N-[2-Chloro-4-(trifluorométhyl)phényl]-L-valinate de (S)-cyano(3-phénoxyphényl)méthyle [French] [ACD/IUPAC Name]
69409-94-5 [RN]
fluvalinate [Wiki]
UNII-364G5G03VC

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

Density: 1.3±0.1 g/cm3
Boiling Point: 566.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 296.2±30.1 °C
Index of Refraction: 1.572
Molar Refractivity: 126.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.31
ACD/LogD (pH 5.5): 6.57
ACD/BCF (pH 5.5): 58490.21
ACD/KOC (pH 5.5): 89920.63
ACD/LogD (pH 7.4): 6.57
ACD/BCF (pH 7.4): 58490.21
ACD/KOC (pH 7.4): 89920.63
Polar Surface Area: 71 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 383.0±3.0 cm3

Click to predict properties on the Chemicalize site


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