ChemSpider 2D Image | 5-FLUORORISPERIDONE | C23H27FN4O2

5-FLUORORISPERIDONE

  • Molecular FormulaC23H27FN4O2
  • Average mass410.484 Da
  • Monoisotopic mass410.211792 Da
  • ChemSpider ID23120108

More details:






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

1199589-74-6 [RN]
3-{2-[4-(5-Fluor-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
3-{2-[4-(5-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
3-{2-[4-(5-Fluoro-1,2-benzoxazol-3-yl)-1-pipéridinyl]éthyl}-2-méthyl-6,7,8,9-tétrahydro-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
3-{2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(5-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl- [ACD/Index Name]
5-FLUORORISPERIDONE
131149-16-1 [RN]
3-(2-(4-(5-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
3-[2-[4-(5-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

JK7A3TF01W [DBID]
UNII:JK7A3TF01W [DBID]
UNII-JK7A3TF01W [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 572.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 300.0±32.9 °C
Index of Refraction: 1.677
Molar Refractivity: 111.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.04
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 9.41
ACD/KOC (pH 7.4): 104.30
Polar Surface Area: 62 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 296.8±7.0 cm3

Click to predict properties on the Chemicalize site






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