ChemSpider 2D Image | N-[(3S,4S)-6-Acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]-4-fluorobenzamide | C20H20FNO4

N-[(3S,4S)-6-Acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]-4-fluorobenzamide

  • Molecular FormulaC20H20FNO4
  • Average mass357.375 Da
  • Monoisotopic mass357.137634 Da
  • ChemSpider ID23185904

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzamide, N-[(3S,4S)-6-acetyl-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-4-fluoro- [ACD/Index Name]
N-[(3S,4S)-6-Acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]-4-fluorbenzamid [German] [ACD/IUPAC Name]
N-[(3S,4S)-6-Acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]-4-fluorobenzamide [ACD/IUPAC Name]
N-[(3S,4S)-6-Acétyl-3-hydroxy-2,2-diméthyl-3,4-dihydro-2H-chromén-4-yl]-4-fluorobenzamide [French] [ACD/IUPAC Name]
N-((3S,4S)-6-Acetyl-3-hydroxy-2,2-dimethyl-chroman-4-yl)-4-fluoro-benzamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 559.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 292.1±30.1 °C
Index of Refraction: 1.604
Molar Refractivity: 93.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 72.82
ACD/KOC (pH 5.5): 749.23
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 72.82
ACD/KOC (pH 7.4): 749.22
Polar Surface Area: 76 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 272.5±5.0 cm3

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