Found 232 results

Search term: MF = 'C_{23}H_{22}F_{3}NO_{3}'
ChemSpider 2D Image | (2Z)-2-(4-Methoxy-3-{[3-(trifluoromethyl)benzyl]oxy}benzylidene)-4,4-dimethyl-3-oxopentanenitrile | C23H22F3NO3

(2Z)-2-(4-Methoxy-3-{[3-(trifluoromethyl)benzyl]oxy}benzylidene)-4,4-dimethyl-3-oxopentanenitrile

  • Molecular FormulaC23H22F3NO3
  • Average mass417.421 Da
  • Monoisotopic mass417.155182 Da
  • ChemSpider ID24752152

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(4-Methoxy-3-{[3-(trifluormethyl)benzyl]oxy}benzyliden)-4,4-dimethyl-3-oxopentannitril [German] [ACD/IUPAC Name]
(2Z)-2-(4-Methoxy-3-{[3-(trifluoromethyl)benzyl]oxy}benzylidene)-4,4-dimethyl-3-oxopentanenitrile [ACD/IUPAC Name]
(2Z)-2-(4-Méthoxy-3-{[3-(trifluorométhyl)benzyl]oxy}benzylidène)-4,4-diméthyl-3-oxopentanenitrile [French] [ACD/IUPAC Name]
Pentanenitrile, 2-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylene]-4,4-dimethyl-3-oxo-, (2Z)- [ACD/Index Name]
(2Z)-2-(2,2-dimethylpropanoyl)-3-(4-methoxy-3-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)prop-2-enenitrile

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

Density: 1.2±0.1 g/cm3
Boiling Point: 520.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 268.4±30.1 °C
Index of Refraction: 1.537
Molar Refractivity: 107.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 10584.74
ACD/KOC (pH 5.5): 26451.80
ACD/LogD (pH 7.4): 5.60
ACD/BCF (pH 7.4): 10584.74
ACD/KOC (pH 7.4): 26451.80
Polar Surface Area: 59 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 345.5±3.0 cm3

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