ChemSpider 2D Image | 1'-[3-(Trifluoromethyl)benzoyl]-2,3,4,5,9,10,11,12-octahydro-6H,8H-spiro[1,5-benzoxazacyclotetradecine-7,4'-piperidin]-6-one | C28H33F3N2O3

1'-[3-(Trifluoromethyl)benzoyl]-2,3,4,5,9,10,11,12-octahydro-6H,8H-spiro[1,5-benzoxazacyclotetradecine-7,4'-piperidin]-6-one

  • Molecular FormulaC28H33F3N2O3
  • Average mass502.568 Da
  • Monoisotopic mass502.244324 Da
  • ChemSpider ID77198394

More details:

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

1'-[3-(Trifluormethyl)benzoyl]-2,3,4,5,9,10,11,12-octahydro-6H,8H-spiro[1,5-benzoxazacyclotetradecine-7,4'-piperidin]-6-on [German] [ACD/IUPAC Name]
1'-[3-(Trifluoromethyl)benzoyl]-2,3,4,5,9,10,11,12-octahydro-6H,8H-spiro[1,5-benzoxazacyclotetradecine-7,4'-piperidin]-6-one [ACD/IUPAC Name]
1'-[3-(Trifluorométhyl)benzoyl]-2,3,4,5,9,10,11,12-octahydro-6H,8H-spiro[1,5-benzoxazacyclotetradecine-7,4'-piperidin]-6-one [French] [ACD/IUPAC Name]
Spiro[2H-1,5-benzoxaazacyclotetradecine-7(8H),4'-piperidin]-6(6H)-one, 2,3,4,5,9,10,11,12-octahydro-1'-[3-(trifluoromethyl)benzoyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 673.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 360.9±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 131.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 5.56
ACD/BCF (pH 5.5): 9891.10
ACD/KOC (pH 5.5): 25199.12
ACD/LogD (pH 7.4): 5.56
ACD/BCF (pH 7.4): 9891.11
ACD/KOC (pH 7.4): 25199.14
Polar Surface Area: 59 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 401.2±5.0 cm3

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