ChemSpider 2D Image | (3R)-3-(4,4-Difluoro-1-piperidinyl)-3-(4-hydroxyphenyl)-7-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one | C20H17F5N2O2

(3R)-3-(4,4-Difluoro-1-piperidinyl)-3-(4-hydroxyphenyl)-7-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one

  • Molecular FormulaC20H17F5N2O2
  • Average mass412.353 Da
  • Monoisotopic mass412.121033 Da
  • ChemSpider ID115010069

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-(4,4-Difluor-1-piperidinyl)-3-(4-hydroxyphenyl)-7-(trifluormethyl)-1,3-dihydro-2H-indol-2-on [German] [ACD/IUPAC Name]
(3R)-3-(4,4-Difluoro-1-piperidinyl)-3-(4-hydroxyphenyl)-7-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one [ACD/IUPAC Name]
(3R)-3-(4,4-Difluoro-1-pipéridinyl)-3-(4-hydroxyphényl)-7-(trifluorométhyl)-1,3-dihydro-2H-indol-2-one [French] [ACD/IUPAC Name]
2H-Indol-2-one, 3-(4,4-difluoro-1-piperidinyl)-1,3-dihydro-3-(4-hydroxyphenyl)-7-(trifluoromethyl)-, (3R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 485.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 247.2±28.7 °C
Index of Refraction: 1.597
Molar Refractivity: 94.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 46.21
ACD/KOC (pH 5.5): 541.02
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 46.02
ACD/KOC (pH 7.4): 538.78
Polar Surface Area: 53 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 276.5±5.0 cm3

Click to predict properties on the Chemicalize site


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