ChemSpider 2D Image | XLR11 Degradant | C21H28FNO

XLR11 Degradant

  • Molecular FormulaC21H28FNO
  • Average mass329.452 Da
  • Monoisotopic mass329.215485 Da
  • ChemSpider ID29341587

More details:

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

1-[1-(5-Fluoropentyl)-1H-indol-3-yl]-3,3,4-trimethyl-4-penten-1-one [ACD/IUPAC Name]
1-[1-(5-Fluoropentyl)-1H-indol-3-yl]-3,3,4-triméthyl-4-pentén-1-one [French] [ACD/IUPAC Name]
1-[1-(5-Fluorpentyl)-1H-indol-3-yl]-3,3,4-trimethyl-4-penten-1-on [German] [ACD/IUPAC Name]
1616469-09-0 [RN]
4-Penten-1-one, 1-[1-(5-fluoropentyl)-1H-indol-3-yl]-3,3,4-trimethyl- [ACD/Index Name]
XLR11 Degradant
1-(1-(5-fluoropentyl)-1H-indol-3-yl)-3,3,4-trimethylpent-4-en-1-one
1-[1-(5-fluoropentyl)indol-3-yl]-3,3,4-trimethylpent-4-en-1-one
XLR11Degradant

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

Density: 1.0±0.1 g/cm3
Boiling Point: 462.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.6±25.9 °C
Index of Refraction: 1.517
Molar Refractivity: 98.7±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7755.11
ACD/KOC (pH 5.5): 21171.81
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7755.11
ACD/KOC (pH 7.4): 21171.81
Polar Surface Area: 22 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 32.7±7.0 dyne/cm
Molar Volume: 326.4±7.0 cm3

Click to predict properties on the Chemicalize site


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