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Search term: MF = 'C_{13}H_{13}FO_{4}'
ChemSpider 2D Image | (3R)-4,4-Dimethyl-2-oxotetrahydro-3-furanyl 2-fluorobenzoate | C13H13FO4

(3R)-4,4-Dimethyl-2-oxotetrahydro-3-furanyl 2-fluorobenzoate

  • Molecular FormulaC13H13FO4
  • Average mass252.238 Da
  • Monoisotopic mass252.079788 Da
  • ChemSpider ID30485042

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-4,4-Dimethyl-2-oxotetrahydro-3-furanyl 2-fluorobenzoate [ACD/IUPAC Name]
(3R)-4,4-Dimethyl-2-oxotetrahydro-3-furanyl-2-fluorbenzoat [German] [ACD/IUPAC Name]
2-Fluorobenzoate de (3R)-4,4-diméthyl-2-oxotétrahydro-3-furanyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-fluoro-, (3R)-tetrahydro-4,4-dimethyl-2-oxo-3-furanyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 386.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.6±3.0 kJ/mol
Flash Point: 181.2±21.4 °C
Index of Refraction: 1.526
Molar Refractivity: 60.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.71
ACD/KOC (pH 5.5): 226.69
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.71
ACD/KOC (pH 7.4): 226.69
Polar Surface Area: 53 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 198.6±5.0 cm3

Click to predict properties on the Chemicalize site


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