Found 1 result

Search term: OC(=O)C([C@@H](CC(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1)C(O)=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | {(1R)-3-Oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl}malonic acid | C19H15F3O5

{(1R)-3-Oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl}malonic acid

  • Molecular FormulaC19H15F3O5
  • Average mass380.315 Da
  • Monoisotopic mass380.087158 Da
  • ChemSpider ID28664254

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{(1R)-3-Oxo-1-phenyl-3-[4-(trifluormethyl)phenyl]propyl}malonsäure [German] [ACD/IUPAC Name]
{(1R)-3-Oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl}malonic acid [ACD/IUPAC Name]
{(1r)-3-Oxo-1-Phenyl-3-[4-(Trifluoromethyl)phenyl]propyl}propanedioic Acid
Acide {(1R)-3-oxo-1-phényl-3-[4-(trifluorométhyl)phényl]propyl}malonique [French] [ACD/IUPAC Name]
Propanedioic acid, 2-[(1R)-3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]- [ACD/Index Name]
(R)-PS210
1410101-89-1 [RN]
2-[(1R)-3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]propanedioic acid
21O

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

Density: 1.4±0.1 g/cm3
Boiling Point: 577.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 303.3±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 87.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.55
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 271.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement