ChemSpider 2D Image | [2-Methyl(2',3',4',5',6'-~2~H_5_)-3-biphenylyl]methyl (1S,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate | C23H17D5ClF3O2

[2-Methyl(2',3',4',5',6'-2H5)-3-biphenylyl]methyl (1S,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate

  • Molecular FormulaC23H17D5ClF3O2
  • Average mass427.899 Da
  • Monoisotopic mass427.157440 Da
  • ChemSpider ID58781091

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1S,3R)-3-[(1Z)-2-Chloro-3,3,3-trifluoro-1-propén-1-yl]-2,2-diméthylcyclopropanecarboxylate de [2-méthyl(2',3',4',5',6'-2H5)-3-biphénylyl]méthyle [French] [ACD/IUPAC Name]
[2-Methyl(2',3',4',5',6'-2H5)-3-biphenylyl]methyl (1S,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate [ACD/IUPAC Name]
[2-Methyl(2',3',4',5',6'-2H5)-3-biphenylyl]methyl-(1S,3R)-3-[(1Z)-2-chlor-3,3,3-trifluor-1-propen-1-yl]-2,2-dimethylcyclopropancarboxylat [German] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-, (2-methyl[1,1'-biphenyl]-3-yl-2',3',4',5',6'-d5)methyl ester, (1S,3R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 453.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 136.5±17.9 °C
Index of Refraction: 1.564
Molar Refractivity: 108.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.30
ACD/LogD (pH 5.5): 6.93
ACD/BCF (pH 5.5): 108403.96
ACD/KOC (pH 5.5): 139850.41
ACD/LogD (pH 7.4): 6.93
ACD/BCF (pH 7.4): 108403.96
ACD/KOC (pH 7.4): 139850.41
Polar Surface Area: 26 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 335.0±3.0 cm3

Click to predict properties on the Chemicalize site


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