ChemSpider 2D Image | 3-(2,2,2-Trifluoroethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione | C16H12F6N4O2

3-(2,2,2-Trifluoroethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

  • Molecular FormulaC16H12F6N4O2
  • Average mass406.283 Da
  • Monoisotopic mass406.086456 Da
  • ChemSpider ID90658400
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1H-Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 3-(2,2,2-trifluoroethyl)-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]- [ACD/Index Name]
3-(2,2,2-Trifluorethyl)-1-{(1S)-1-[4-(trifluormethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidin-4,6(5H,7H)-dion [German] [ACD/IUPAC Name]
3-(2,2,2-Trifluoroethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione [ACD/IUPAC Name]
3-(2,2,2-Trifluoroéthyl)-1-{(1S)-1-[4-(trifluorométhyl)phényl]éthyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.579
Molar Refractivity: 83.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 79.34
ACD/KOC (pH 5.5): 796.62
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 79.06
ACD/KOC (pH 7.4): 793.84
Polar Surface Area: 76 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 41.0±7.0 dyne/cm
Molar Volume: 251.3±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement