ChemSpider 2D Image | (2R)-3,3,3-Trifluoro-N-{(2S,3E,5E)-6-[(1S,2S,5R)-2-isopropyl-5-methylcyclohexyl]-3,5-hexadien-2-yl}-2-methoxy-2-phenylpropanamide | C26H36F3NO2

(2R)-3,3,3-Trifluoro-N-{(2S,3E,5E)-6-[(1S,2S,5R)-2-isopropyl-5-methylcyclohexyl]-3,5-hexadien-2-yl}-2-methoxy-2-phenylpropanamide

  • Molecular FormulaC26H36F3NO2
  • Average mass451.565 Da
  • Monoisotopic mass451.269806 Da
  • ChemSpider ID30658716

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R)-3,3,3-Trifluor-N-{(2S,3E,5E)-6-[(1S,2S,5R)-2-isopropyl-5-methylcyclohexyl]-3,5-hexadien-2-yl}-2-methoxy-2-phenylpropanamid [German] [ACD/IUPAC Name]
(2R)-3,3,3-Trifluoro-N-{(2S,3E,5E)-6-[(1S,2S,5R)-2-isopropyl-5-methylcyclohexyl]-3,5-hexadien-2-yl}-2-methoxy-2-phenylpropanamide [ACD/IUPAC Name]
(2R)-3,3,3-Trifluoro-N-{(2S,3E,5E)-6-[(1S,2S,5R)-2-isopropyl-5-méthylcyclohexyl]-3,5-hexadién-2-yl}-2-méthoxy-2-phénylpropanamide [French] [ACD/IUPAC Name]
Benzeneacetamide, α-methoxy-N-[(1S,2E,4E)-1-methyl-5-[(1S,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]-2,4-pentadien-1-yl]-α-(trifluoromethyl)-, (αR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 528.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.3±30.1 °C
Index of Refraction: 1.512
Molar Refractivity: 124.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 9.60
ACD/LogD (pH 5.5): 7.85
ACD/BCF (pH 5.5): 547222.50
ACD/KOC (pH 5.5): 445604.06
ACD/LogD (pH 7.4): 7.85
ACD/BCF (pH 7.4): 547219.50
ACD/KOC (pH 7.4): 445601.63
Polar Surface Area: 38 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 414.2±3.0 cm3

Click to predict properties on the Chemicalize site


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