ChemSpider 2D Image | trans,trans-4-Butyl-4'-(4-ethoxy-2,3-difluorophenyl)bicyclohexyl | C24H36F2O

trans,trans-4-Butyl-4'-(4-ethoxy-2,3-difluorophenyl)bicyclohexyl

  • Molecular FormulaC24H36F2O
  • Average mass378.539 Da
  • Monoisotopic mass378.273407 Da
  • ChemSpider ID25950389

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1s,1'r,4S,4'r)-4-Butyl-4'-(4-ethoxy-2,3-difluorophenyl)-1,1'-bi(cyclohexyl) [ACD/IUPAC Name]
(1s,1'r,4S,4'r)-4-Butyl-4'-(4-éthoxy-2,3-difluorophényl)-1,1'-bi(cyclohexyl) [French] [ACD/IUPAC Name]
(1s,1'r,4S,4'r)-4-Butyl-4'-(4-ethoxy-2,3-difluorphenyl)-1,1'-bi(cyclohexyl) [German] [ACD/IUPAC Name]
473257-15-7 [RN]
Benzene, 1-(4'-butyl[1,1'-bicyclohexyl]-4-yl)-4-ethoxy-2,3-difluoro- [ACD/Index Name]
trans,trans-4-Butyl-4'-(4-ethoxy-2,3-difluorophenyl)bicyclohexyl
1-(trans-4'-Butyl[1,1'-bicyclohexyl]-4-yl)-4-ethoxy-2,3-difluorobenzene

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

Density: 1.0±0.1 g/cm3
Boiling Point: 433.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.2±3.0 kJ/mol
Flash Point: 224.9±24.6 °C
Index of Refraction: 1.494
Molar Refractivity: 107.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 9.84
ACD/LogD (pH 5.5): 8.56
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1084357.38
ACD/LogD (pH 7.4): 8.56
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1084357.38
Polar Surface Area: 9 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 370.3±3.0 cm3

Click to predict properties on the Chemicalize site


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