ChemSpider 2D Image | 1-(Cyclopropylmethyl)-5-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl}-2-azepanone | C22H29F3N2O2

1-(Cyclopropylmethyl)-5-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl}-2-azepanone

  • Molecular FormulaC22H29F3N2O2
  • Average mass410.473 Da
  • Monoisotopic mass410.218109 Da
  • ChemSpider ID62735651

More details:

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

1-(Cyclopropylmethyl)-5-{4-hydroxy-4-[3-(trifluormethyl)phenyl]-1-piperidinyl}-2-azepanon [German] [ACD/IUPAC Name]
1-(Cyclopropylmethyl)-5-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl}-2-azepanone [ACD/IUPAC Name]
1-(Cyclopropylméthyl)-5-{4-hydroxy-4-[3-(trifluorométhyl)phényl]-1-pipéridinyl}-2-azépanone [French] [ACD/IUPAC Name]
2H-Azepin-2-one, 1-(cyclopropylmethyl)hexahydro-5-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]- [ACD/Index Name]
1-(cyclopropylmethyl)-5-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}azepan-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 532.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 275.8±30.1 °C
Index of Refraction: 1.554
Molar Refractivity: 103.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.28
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 10.03
ACD/KOC (pH 7.4): 116.31
Polar Surface Area: 44 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 322.9±3.0 cm3

Click to predict properties on the Chemicalize site


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