ChemSpider 2D Image | 4-[(2R,3S)-2-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)-4-morpholinyl]-2-butynal | C24H20F7NO3

4-[(2R,3S)-2-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)-4-morpholinyl]-2-butynal

  • Molecular FormulaC24H20F7NO3
  • Average mass503.409 Da
  • Monoisotopic mass503.133148 Da
  • ChemSpider ID8067972

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Butynal, 4-[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]- [ACD/Index Name]
4-[(2R,3S)-2-{(1R)-1-[3,5-Bis(trifluormethyl)phenyl]ethoxy}-3-(4-fluorphenyl)-4-morpholinyl]-2-butinal [German] [ACD/IUPAC Name]
4-[(2R,3S)-2-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)-4-morpholinyl]-2-butynal [ACD/IUPAC Name]
4-[(2R,3S)-2-{(1R)-1-[3,5-Bis(trifluorométhyl)phényl]éthoxy}-3-(4-fluorophényl)-4-morpholinyl]-2-butynal [French] [ACD/IUPAC Name]
264197-41-3 [RN]
CTK4F7856

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

Density: 1.4±0.1 g/cm3
Boiling Point: 466.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 236.2±28.7 °C
Index of Refraction: 1.529
Molar Refractivity: 111.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.89
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 15541.81
ACD/KOC (pH 5.5): 34493.13
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 16063.97
ACD/KOC (pH 7.4): 35652.00
Polar Surface Area: 39 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 361.7±5.0 cm3

Click to predict properties on the Chemicalize site


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