ChemSpider 2D Image | 1-{2-Fluoro-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzyl}-2-pyrrolidinone | C19H19F4N3O

1-{2-Fluoro-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzyl}-2-pyrrolidinone

  • Molecular FormulaC19H19F4N3O
  • Average mass381.367 Da
  • Monoisotopic mass381.146423 Da
  • ChemSpider ID26325347

More details:

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

1-{2-Fluor-4-[3-(trifluormethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzyl}-2-pyrrolidinon [German] [ACD/IUPAC Name]
1-{2-Fluoro-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzyl}-2-pyrrolidinone [ACD/IUPAC Name]
1-{2-Fluoro-4-[3-(trifluorométhyl)-4,5,6,7-tétrahydro-1H-indazol-1-yl]benzyl}-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 1-[[2-fluoro-4-[4,5,6,7-tetrahydro-3-(trifluoromethyl)-1H-indazol-1-yl]phenyl]methyl]- [ACD/Index Name]
1NF
N,N-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzamide [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 497.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 254.7±28.7 °C
Index of Refraction: 1.609
Molar Refractivity: 91.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 355.86
ACD/KOC (pH 5.5): 2332.46
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 355.86
ACD/KOC (pH 7.4): 2332.46
Polar Surface Area: 38 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 264.8±7.0 cm3

Click to predict properties on the Chemicalize site


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