ChemSpider 2D Image | Methyl 4-(3-fluorophenyl)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate | C12H10F4O4

Methyl 4-(3-fluorophenyl)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate

  • Molecular FormulaC12H10F4O4
  • Average mass294.199 Da
  • Monoisotopic mass294.051514 Da
  • ChemSpider ID65332737

More details:

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

4-(3-Fluorophényl)-2-hydroxy-4-oxo-2-(trifluorométhyl)butanoate de méthyle [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 3-fluoro-α-hydroxy-γ-oxo-α-(trifluoromethyl)-, methyl ester [ACD/Index Name]
Methyl 4-(3-fluorophenyl)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate [ACD/IUPAC Name]
Methyl-4-(3-fluorphenyl)-2-hydroxy-4-oxo-2-(trifluormethyl)butanoat [German] [ACD/IUPAC Name]
2060040-82-4 [RN]
MFCD30501514

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

Density: 1.4±0.1 g/cm3
Boiling Point: 421.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 208.8±28.7 °C
Index of Refraction: 1.473
Molar Refractivity: 58.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 93.36
ACD/KOC (pH 5.5): 895.02
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 92.25
ACD/KOC (pH 7.4): 884.39
Polar Surface Area: 64 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 208.6±3.0 cm3

Click to predict properties on the Chemicalize site


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