Found 2 results

Search term: WMDLGLZRZCXLSM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R)-2-(Trifluoroacetyl)cycloheptanone | C9H11F3O2

(2R)-2-(Trifluoroacetyl)cycloheptanone

  • Molecular FormulaC9H11F3O2
  • Average mass208.178 Da
  • Monoisotopic mass208.071121 Da
  • ChemSpider ID98606910

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-(2,2,2-Trifluoroacétyl)cycloheptanone [French] [ACD/IUPAC Name]
(2R)-2-(Trifluoracetyl)cycloheptanon [German] [ACD/IUPAC Name]
(2R)-2-(Trifluoroacetyl)cycloheptanone [ACD/IUPAC Name]
Cycloheptanone, 2-(2,2,2-trifluoroacetyl)-, (2R)- [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: 240.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.7±3.0 kJ/mol
Flash Point: 81.9±24.1 °C
Index of Refraction: 1.414
Molar Refractivity: 42.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.14
ACD/KOC (pH 5.5): 388.37
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 20.95
ACD/KOC (pH 7.4): 279.19
Polar Surface Area: 34 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 29.7±3.0 dyne/cm
Molar Volume: 168.3±3.0 cm3

Click to predict properties on the Chemicalize site


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