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Search term: CNJGFCCCWVNHDK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S)-1-(4-Fluoro-3-methylphenyl)-2-(methylamino)-1-propanone | C11H14FNO

(2S)-1-(4-Fluoro-3-methylphenyl)-2-(methylamino)-1-propanone

  • Molecular FormulaC11H14FNO
  • Average mass195.233 Da
  • Monoisotopic mass195.105942 Da
  • ChemSpider ID72840740

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(4-Fluor-3-methylphenyl)-2-(methylamino)-1-propanon [German] [ACD/IUPAC Name]
(2S)-1-(4-Fluoro-3-methylphenyl)-2-(methylamino)-1-propanone [ACD/IUPAC Name]
(2S)-1-(4-Fluoro-3-méthylphényl)-2-(méthylamino)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-(4-fluoro-3-methylphenyl)-2-(methylamino)-, (2S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 291.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.1±3.0 kJ/mol
Flash Point: 130.0±24.6 °C
Index of Refraction: 1.499
Molar Refractivity: 53.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.71
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 6.79
ACD/KOC (pH 7.4): 118.00
Polar Surface Area: 29 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 183.7±3.0 cm3

Click to predict properties on the Chemicalize site


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