ChemSpider 2D Image | (7R)-1'-{[5-(Trifluoromethyl)-2-furyl]methyl}spiro[furo[2,3-f][1,3]benzodioxole-7,3'-indol]-2'(1'H)-one | C22H14F3NO5

(7R)-1'-{[5-(Trifluoromethyl)-2-furyl]methyl}spiro[furo[2,3-f][1,3]benzodioxole-7,3'-indol]-2'(1'H)-one

  • Molecular FormulaC22H14F3NO5
  • Average mass429.345 Da
  • Monoisotopic mass429.082397 Da
  • ChemSpider ID76820607

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7R)-1'-{[5-(Trifluoromethyl)-2-furyl]methyl}spiro[furo[2,3-f][1,3]benzodioxole-7,3'-indol]-2'(1'H)-one [ACD/IUPAC Name]
Spiro[furo[2,3-f]-1,3-benzodioxole-7(6H),3'-[3H]indol]-2'(1'H)-one, 1'-[[5-(trifluoromethyl)-2-furanyl]methyl]-, (7R)- [ACD/Index Name]
1259933-16-8 [RN]
Spiro[furo[2,3-f]-1,3-benzodioxole-7(6H),3'-[3H]indol]-2'(1'H)-one, 1'-[[5-(trifluoromethyl)-2-furanyl]methyl]-, (3'S)-

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

Density: 1.6±0.1 g/cm3
Boiling Point: 612.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.0±31.5 °C
Index of Refraction: 1.666
Molar Refractivity: 99.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 300.34
ACD/KOC (pH 5.5): 2065.78
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 300.34
ACD/KOC (pH 7.4): 2065.78
Polar Surface Area: 61 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 268.7±5.0 cm3

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