ChemSpider 2D Image | 1-[(3-Fluoro-3-pyrrolidinyl)methyl]azepane | C11H21FN2

1-[(3-Fluoro-3-pyrrolidinyl)methyl]azepane

  • Molecular FormulaC11H21FN2
  • Average mass200.296 Da
  • Monoisotopic mass200.168884 Da
  • ChemSpider ID45555789

More details:

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

1-[(3-Fluor-3-pyrrolidinyl)methyl]azepan [German] [ACD/IUPAC Name]
1-[(3-Fluoro-3-pyrrolidinyl)methyl]azepane [ACD/IUPAC Name]
1-[(3-Fluoro-3-pyrrolidinyl)méthyl]azépane [French] [ACD/IUPAC Name]
1H-Azepine, 1-[(3-fluoro-3-pyrrolidinyl)methyl]hexahydro- [ACD/Index Name]
1783354-94-8 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 269.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.8±3.0 kJ/mol
Flash Point: 116.8±23.2 °C
Index of Refraction: 1.498
Molar Refractivity: 56.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): -2.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.01
Polar Surface Area: 15 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 35.8±5.0 dyne/cm
Molar Volume: 192.8±5.0 cm3

Click to predict properties on the Chemicalize site


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