ChemSpider 2D Image | Ethyl (2E)-3-[4-({[3,5-bis(trifluoromethyl)phenoxy]acetyl}amino)phenyl]acrylate | C21H17F6NO4

Ethyl (2E)-3-[4-({[3,5-bis(trifluoromethyl)phenoxy]acetyl}amino)phenyl]acrylate

  • Molecular FormulaC21H17F6NO4
  • Average mass461.354 Da
  • Monoisotopic mass461.106171 Da
  • ChemSpider ID22847312

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[4-({2-[3,5-Bis(trifluorométhyl)phénoxy]acétyl}amino)phényl]acrylate d'éthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]phenyl]-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-3-[4-({[3,5-bis(trifluoromethyl)phenoxy]acetyl}amino)phenyl]acrylate [ACD/IUPAC Name]
Ethyl-(2E)-3-[4-({[3,5-bis(trifluormethyl)phenoxy]acetyl}amino)phenyl]acrylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 535.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.4±30.1 °C
Index of Refraction: 1.530
Molar Refractivity: 103.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3657.60
ACD/KOC (pH 5.5): 12363.18
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3657.58
ACD/KOC (pH 7.4): 12363.11
Polar Surface Area: 65 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 335.4±3.0 cm3

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