Found 4 results

Search term: TYDZLCYUJXYSAI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,4R)-Bicyclo[2.2.1]hept-2-yl trifluoroacetate | C9H11F3O2

(1S,4R)-Bicyclo[2.2.1]hept-2-yl trifluoroacetate

  • Molecular FormulaC9H11F3O2
  • Average mass208.178 Da
  • Monoisotopic mass208.071121 Da
  • ChemSpider ID61689449

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,4R)-Bicyclo[2.2.1]hept-2-yl trifluoroacetate [ACD/IUPAC Name]
(1S,4R)-Bicyclo[2.2.1]hept-2-yl-trifluoracetat [German] [ACD/IUPAC Name]
Acetic acid, 2,2,2-trifluoro-, (1S,4R)-bicyclo[2.2.1]hept-2-yl ester [ACD/Index Name]
Trifluoroacétate de (1S,4R)-bicyclo[2.2.1]hept-2-yle [French] [ACD/IUPAC Name]
1933710-54-3 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 189.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.6±3.0 kJ/mol
Flash Point: 52.7±18.2 °C
Index of Refraction: 1.431
Molar Refractivity: 41.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 145.93
ACD/KOC (pH 5.5): 1232.25
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 145.93
ACD/KOC (pH 7.4): 1232.25
Polar Surface Area: 26 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 29.1±5.0 dyne/cm
Molar Volume: 161.3±5.0 cm3

Click to predict properties on the Chemicalize site


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