ChemSpider 2D Image | (3E,5E)-6-(3-{2-[3,4-Bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)-3,5-octadien-2-ol | C25H26F6O3

(3E,5E)-6-(3-{2-[3,4-Bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)-3,5-octadien-2-ol

  • Molecular FormulaC25H26F6O3
  • Average mass488.463 Da
  • Monoisotopic mass488.178619 Da
  • ChemSpider ID28642058
  • Double-bond stereo - Double-bond stereo


More details:






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

(3E,5E)-6-(3-{2-[3,4-Bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluor-2-(trifluormethyl)-3,5-octadien-2-ol [German] [ACD/IUPAC Name]
(3E,5E)-6-(3-{2-[3,4-Bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)-3,5-octadien-2-ol [ACD/IUPAC Name]
(3E,5E)-6-(3-{2-[3,4-Bis(hydroxyméthyl)phényl]éthyl}phényl)-1,1,1-trifluoro-2-(trifluorométhyl)-3,5-octadién-2-ol [French] [ACD/IUPAC Name]
(3e,5e)-6-(3-{2-[3,4-Bis(Hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-Trifluoro-2-(Trifluoromethyl)octa-3,5-Dien-2-Ol
1,2-Benzenedimethanol, 4-[2-[3-[(1E,3E)-1-ethyl-6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)-1,3-hexadien-1-yl]phenyl]ethyl]- [ACD/Index Name]
0VQ

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 547.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 285.0±30.1 °C
Index of Refraction: 1.537
Molar Refractivity: 118.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 5377.96
ACD/KOC (pH 5.5): 16288.77
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5116.18
ACD/KOC (pH 7.4): 15495.86
Polar Surface Area: 61 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 377.9±3.0 cm3

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