ChemSpider 2D Image | 3-[3,5-Bis(trifluoromethyl)phenyl]-6,6-dimethyl-1,3a,5,6,7,7a-hexahydro-4H-indazol-4-one | C17H16F6N2O

3-[3,5-Bis(trifluoromethyl)phenyl]-6,6-dimethyl-1,3a,5,6,7,7a-hexahydro-4H-indazol-4-one

  • Molecular FormulaC17H16F6N2O
  • Average mass378.312 Da
  • Monoisotopic mass378.116669 Da
  • ChemSpider ID34446261

More details:

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

3-[3,5-Bis(trifluormethyl)phenyl]-6,6-dimethyl-1,3a,5,6,7,7a-hexahydro-4H-indazol-4-on [German] [ACD/IUPAC Name]
3-[3,5-Bis(trifluoromethyl)phenyl]-6,6-dimethyl-1,3a,5,6,7,7a-hexahydro-4H-indazol-4-one [ACD/IUPAC Name]
3-[3,5-Bis(trifluorométhyl)phényl]-6,6-diméthyl-1,3a,5,6,7,7a-hexahydro-4H-indazol-4-one [French] [ACD/IUPAC Name]
4H-Indazol-4-one, 3-[3,5-bis(trifluoromethyl)phenyl]-1,3a,5,6,7,7a-hexahydro-6,6-dimethyl- [ACD/Index Name]
3-(3,5-Bis-trifluoromethyl-phenyl)-6,6-dimethyl-1,3a,5,6,7,7a-hexahydro-indazol-4-one
3-[3,5-bis(trifluoromethyl)phenyl]-6,6-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indazol-4-one
3-[3,5-bis(trifluoromethyl)phenyl]-6,6-dimethyl-3a,5,7,7a-tetrahydro-1H-indazol-4-one
MFCD15524594

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

Density: 1.5±0.1 g/cm3
Boiling Point: 376.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.5±3.0 kJ/mol
Flash Point: 181.8±30.7 °C
Index of Refraction: 1.535
Molar Refractivity: 80.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 500.37
ACD/KOC (pH 5.5): 2976.66
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 500.48
ACD/KOC (pH 7.4): 2977.32
Polar Surface Area: 41 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 33.2±7.0 dyne/cm
Molar Volume: 259.1±7.0 cm3

Click to predict properties on the Chemicalize site


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