ChemSpider 2D Image | 5-{2-[3,5-Bis(trifluoromethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid | C15H10F6N2O4

5-{2-[3,5-Bis(trifluoromethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid

  • Molecular FormulaC15H10F6N2O4
  • Average mass396.241 Da
  • Monoisotopic mass396.054474 Da
  • ChemSpider ID35034321

More details:






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

4-Pyrimidinecarboxylic acid, 5-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1,2,3,6-tetrahydro-2,6-dioxo- [ACD/Index Name]
5-{2-[3,5-Bis(trifluormethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
5-{2-[3,5-Bis(trifluoromethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid [ACD/IUPAC Name]
5-{2-[3,5-Bis(Trifluoromethyl)phenyl]ethyl}-2,6-Dioxo-1,2,3,6-Tetrahydropyrimidine-4-Carboxylic Acid
Acide 5-{2-[3,5-bis(trifluorométhyl)phényl]éthyl}-2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
ROU

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.491
Molar Refractivity: 74.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.11
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 258.3±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement