ChemSpider 2D Image | Butyl (2R)-2-{[4-(4-cyano-2-fluorophenoxy)(~2~H_4_)phenyl]oxy}propanoate | C20H16D4FNO4

Butyl (2R)-2-{[4-(4-cyano-2-fluorophenoxy)(2H4)phenyl]oxy}propanoate

  • Molecular FormulaC20H16D4FNO4
  • Average mass361.400 Da
  • Monoisotopic mass361.162750 Da
  • ChemSpider ID107450769

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R)-2-{[4-(4-Cyano-2-fluorophénoxy)(2H4)phényl]oxy}propanoate de butyle [French] [ACD/IUPAC Name]
Butyl (2R)-2-{[4-(4-cyano-2-fluorophenoxy)(2H4)phenyl]oxy}propanoate [ACD/IUPAC Name]
Butyl-(2R)-2-{[4-(4-cyan-2-fluorphenoxy)(2H4)phenyl]oxy}propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 2-[[4-(4-cyano-2-fluorophenoxy)phenyl-2,3,5,6-d4]oxy]-, butyl ester, (2R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 449.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 225.4±28.7 °C
Index of Refraction: 1.551
Molar Refractivity: 93.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 870.58
ACD/KOC (pH 5.5): 4425.01
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 870.58
ACD/KOC (pH 7.4): 4425.01
Polar Surface Area: 69 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 294.3±5.0 cm3

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