ChemSpider 2D Image | (2Z)-4,4,4-Trifluoro-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-2-butenamide | C21H16F4N2OS

(2Z)-4,4,4-Trifluoro-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-2-butenamide

  • Molecular FormulaC21H16F4N2OS
  • Average mass420.423 Da
  • Monoisotopic mass420.091949 Da
  • ChemSpider ID33872583

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-4,4,4-Trifluor-N-(4-fluorphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-2-butenamid [German] [ACD/IUPAC Name]
(2Z)-4,4,4-Trifluoro-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-2-butenamide [ACD/IUPAC Name]
(2Z)-4,4,4-Trifluoro-N-(4-fluorophényl)-N-[(2-méthyl-1,3-thiazol-4-yl)méthyl]-3-phényl-2-buténamide [French] [ACD/IUPAC Name]
2-Butenamide, 4,4,4-trifluoro-N-(4-fluorophenyl)-N-[(2-methyl-4-thiazolyl)methyl]-3-phenyl-, (2Z)- [ACD/Index 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: 516.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 266.2±30.1 °C
Index of Refraction: 1.597
Molar Refractivity: 105.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3201.51
ACD/KOC (pH 5.5): 11238.88
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3201.64
ACD/KOC (pH 7.4): 11239.33
Polar Surface Area: 61 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 310.1±3.0 cm3

Click to predict properties on the Chemicalize site


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