ChemSpider 2D Image | 1-[2-(4-Methoxyphenyl)-1-pyrrolidinyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]ethanone | C21H24F3N3O2

1-[2-(4-Methoxyphenyl)-1-pyrrolidinyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]ethanone

  • Molecular FormulaC21H24F3N3O2
  • Average mass407.429 Da
  • Monoisotopic mass407.182068 Da
  • ChemSpider ID24752618

More details:

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

1-[2-(4-Methoxyphenyl)-1-pyrrolidinyl]-2-[3-(trifluormethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]ethanon [German] [ACD/IUPAC Name]
1-[2-(4-Methoxyphenyl)-1-pyrrolidinyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]ethanone [ACD/IUPAC Name]
1-[2-(4-Méthoxyphényl)-1-pyrrolidinyl]-2-[3-(trifluorométhyl)-4,5,6,7-tétrahydro-1H-indazol-1-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[2-(4-methoxyphenyl)-1-pyrrolidinyl]-2-[4,5,6,7-tetrahydro-3-(trifluoromethyl)-1H-indazol-1-yl]- [ACD/Index Name]
1-[2-(4-Methoxy-phenyl)-pyrrolidin-1-yl]-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-ethanone
1-[2-(4-methoxyphenyl)pyrrolidinyl]-2-[3-(trifluoromethyl)(1H-4,5,6,7-tetrahydroindazolyl)]ethan-1-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 536.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 278.0±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 102.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 935.68
ACD/KOC (pH 5.5): 4659.44
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 935.68
ACD/KOC (pH 7.4): 4659.45
Polar Surface Area: 47 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 42.8±7.0 dyne/cm
Molar Volume: 299.7±7.0 cm3

Click to predict properties on the Chemicalize site


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