ChemSpider 2D Image | Ethyl 4-oxo-4-({4-[3-(trifluoromethyl)phenoxy]-2-butyn-1-yl}amino)butanoate | C17H18F3NO4

Ethyl 4-oxo-4-({4-[3-(trifluoromethyl)phenoxy]-2-butyn-1-yl}amino)butanoate

  • Molecular FormulaC17H18F3NO4
  • Average mass357.324 Da
  • Monoisotopic mass357.118805 Da
  • ChemSpider ID30755902

More details:

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

4-Oxo-4-({4-[3-(trifluorométhyl)phénoxy]-2-butyn-1-yl}amino)butanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-oxo-4-[[4-[3-(trifluoromethyl)phenoxy]-2-butyn-1-yl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-oxo-4-({4-[3-(trifluoromethyl)phenoxy]-2-butyn-1-yl}amino)butanoate [ACD/IUPAC Name]
Ethyl-4-oxo-4-({4-[3-(trifluormethyl)phenoxy]-2-butin-1-yl}amino)butanoat [German] [ACD/IUPAC Name]
1421496-89-0 [RN]
ETHYL 3-({4-[3-(TRIFLUOROMETHYL)PHENOXY]BUT-2-YN-1-YL}CARBAMOYL)PROPANOATE
ethyl 4-oxo-4-((4-(3-(trifluoromethyl)phenoxy)but-2-yn-1-yl)amino)butanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 511.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 262.9±30.1 °C
Index of Refraction: 1.488
Molar Refractivity: 83.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 99.34
ACD/KOC (pH 5.5): 935.74
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 99.34
ACD/KOC (pH 7.4): 935.74
Polar Surface Area: 65 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 288.2±3.0 cm3

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