ChemSpider 2D Image | {(5S)-2-[3,5-Bis(trifluoromethyl)benzyl]-2,7-diazaspiro[4.5]dec-7-yl}(4-methoxyphenyl)methanone | C25H26F6N2O2

{(5S)-2-[3,5-Bis(trifluoromethyl)benzyl]-2,7-diazaspiro[4.5]dec-7-yl}(4-methoxyphenyl)methanone

  • Molecular FormulaC25H26F6N2O2
  • Average mass500.477 Da
  • Monoisotopic mass500.189850 Da
  • ChemSpider ID2485906

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{(5S)-2-[3,5-Bis(trifluormethyl)benzyl]-2,7-diazaspiro[4.5]dec-7-yl}(4-methoxyphenyl)methanon [German] [ACD/IUPAC Name]
{(5S)-2-[3,5-Bis(trifluoromethyl)benzyl]-2,7-diazaspiro[4.5]dec-7-yl}(4-methoxyphenyl)methanone [ACD/IUPAC Name]
{(5S)-2-[3,5-Bis(trifluorométhyl)benzyl]-2,7-diazaspiro[4.5]déc-7-yl}(4-méthoxyphényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [(5S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.5]dec-7-yl](4-methoxyphenyl)- [ACD/Index Name]

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

NCGC00012247 [DBID]
PCOP-770702 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 509.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 261.9±30.1 °C
Index of Refraction: 1.551
Molar Refractivity: 117.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 6.92
ACD/KOC (pH 5.5): 23.47
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 298.54
ACD/KOC (pH 7.4): 1012.27
Polar Surface Area: 33 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 369.5±5.0 cm3

Click to predict properties on the Chemicalize site


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