ChemSpider 2D Image | 3-(Cyclopropylmethyl)-5-fluoro-1H-indole | C12H12FN

3-(Cyclopropylmethyl)-5-fluoro-1H-indole

  • Molecular FormulaC12H12FN
  • Average mass189.229 Da
  • Monoisotopic mass189.095383 Da
  • ChemSpider ID35329897

More details:






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

1H-Indole, 3-(cyclopropylmethyl)-5-fluoro- [ACD/Index Name]
3-(Cyclopropylmethyl)-5-fluor-1H-indol [German] [ACD/IUPAC Name]
3-(Cyclopropylmethyl)-5-fluoro-1H-indole [ACD/IUPAC Name]
3-(Cyclopropylméthyl)-5-fluoro-1H-indole [French] [ACD/IUPAC Name]
1779134-41-6 [RN]
KS-8843
MFCD27995978

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 331.8±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.2±3.0 kJ/mol
Flash Point: 154.5±22.3 °C
Index of Refraction: 1.669
Molar Refractivity: 55.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 163.10
ACD/KOC (pH 5.5): 1334.39
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 163.10
ACD/KOC (pH 7.4): 1334.39
Polar Surface Area: 16 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 148.2±3.0 cm3

Click to predict properties on the Chemicalize site






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