Found 75 results

Search term: MF = 'C_{6}H_{8}FNO_{2}'
ChemSpider 2D Image | (1r,4r)-4-Fluoro-2-azabicyclo[2.1.1]hexane-1-carboxylic acid | C6H8FNO2

(1r,4r)-4-Fluoro-2-azabicyclo[2.1.1]hexane-1-carboxylic acid

  • Molecular FormulaC6H8FNO2
  • Average mass145.132 Da
  • Monoisotopic mass145.053909 Da
  • ChemSpider ID35293964

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1r,4r)-4-Fluor-2-azabicyclo[2.1.1]hexan-1-carbonsäure [German] [ACD/IUPAC Name]
(1r,4r)-4-Fluoro-2-azabicyclo[2.1.1]hexane-1-carboxylic acid [ACD/IUPAC Name]
2-Azabicyclo[2.1.1]hexane-1-carboxylic acid, 4-fluoro- [ACD/Index Name]
Acide (1r,4r)-4-fluoro-2-azabicyclo[2.1.1]hexane-1-carboxylique [French] [ACD/IUPAC Name]
[1196976-68-7] [RN]
1196976-68-7 [RN]
4-Fluoro-2-azabicyclo[2.1.1]hexane-1-carboxylic acid [ACD/IUPAC Name]
MFCD12913296 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 265.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 55.5±6.0 kJ/mol
Flash Point: 114.6±27.3 °C
Index of Refraction: 1.542
Molar Refractivity: 31.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.40
ACD/LogD (pH 5.5): -2.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 49 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 99.1±5.0 cm3

Click to predict properties on the Chemicalize site


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