ChemSpider 2D Image | (3S)-3-(4-Methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclohexanone | C20H19F3O

(3S)-3-(4-Methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclohexanone

  • Molecular FormulaC20H19F3O
  • Average mass332.359 Da
  • Monoisotopic mass332.138794 Da
  • ChemSpider ID75580697

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(4-Methylphenyl)-3-[4-(trifluormethyl)phenyl]cyclohexanon [German] [ACD/IUPAC Name]
(3S)-3-(4-Methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclohexanone [ACD/IUPAC Name]
(3S)-3-(4-Méthylphényl)-3-[4-(trifluorométhyl)phényl]cyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]-, (3S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 413.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 244.5±20.2 °C
Index of Refraction: 1.530
Molar Refractivity: 86.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3642.90
ACD/KOC (pH 5.5): 12327.58
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3642.90
ACD/KOC (pH 7.4): 12327.58
Polar Surface Area: 17 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 279.5±3.0 cm3

Click to predict properties on the Chemicalize site


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