ChemSpider 2D Image | [3,5-Bis(trifluoromethyl)phenyl][(5S)-2-(2-methoxybenzyl)-2,7-diazaspiro[4.5]dec-7-yl]methanone | C25H26F6N2O2

[3,5-Bis(trifluoromethyl)phenyl][(5S)-2-(2-methoxybenzyl)-2,7-diazaspiro[4.5]dec-7-yl]methanone

  • Molecular FormulaC25H26F6N2O2
  • Average mass500.477 Da
  • Monoisotopic mass500.189850 Da
  • ChemSpider ID2483857

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

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

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

NCGC00010192 [DBID]
PCOP-62050 [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: 518.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 267.1±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: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 5.51
ACD/KOC (pH 5.5): 17.08
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 126.24
ACD/KOC (pH 7.4): 391.64
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

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