ChemSpider 2D Image | 1-[7-(4-Fluorobenzyl)-2,7-diazaspiro[4.5]dec-2-yl]-3-methyl-2-buten-1-one | C20H27FN2O

1-[7-(4-Fluorobenzyl)-2,7-diazaspiro[4.5]dec-2-yl]-3-methyl-2-buten-1-one

  • Molecular FormulaC20H27FN2O
  • Average mass330.440 Da
  • Monoisotopic mass330.210754 Da
  • ChemSpider ID22231452

More details:

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

1-[7-(4-Fluorbenzyl)-2,7-diazaspiro[4.5]dec-2-yl]-3-methyl-2-buten-1-on [German] [ACD/IUPAC Name]
1-[7-(4-Fluorobenzyl)-2,7-diazaspiro[4.5]dec-2-yl]-3-methyl-2-buten-1-one [ACD/IUPAC Name]
1-[7-(4-Fluorobenzyl)-2,7-diazaspiro[4.5]déc-2-yl]-3-méthyl-2-butén-1-one [French] [ACD/IUPAC Name]
2-Buten-1-one, 1-[7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]dec-2-yl]-3-methyl- [ACD/Index Name]
7-(4-fluorobenzyl)-2-(3-methyl-2-butenoyl)-2,7-diazaspiro[4.5]decane

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

Density: 1.1±0.1 g/cm3
Boiling Point: 479.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 243.6±25.4 °C
Index of Refraction: 1.571
Molar Refractivity: 95.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.41
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 4.10
ACD/KOC (pH 7.4): 34.68
Polar Surface Area: 24 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 289.7±5.0 cm3

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