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Search term: XYEDCHJYYOEJSU-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 7-{[3-(Trifluoromethyl)phenyl]sulfanyl}-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole | C18H17F3N2S

7-{[3-(Trifluoromethyl)phenyl]sulfanyl}-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole

  • Molecular FormulaC18H17F3N2S
  • Average mass350.401 Da
  • Monoisotopic mass350.106445 Da
  • ChemSpider ID26333929

More details:

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

7-{[3-(Trifluormethyl)phenyl]sulfanyl}-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol [German] [ACD/IUPAC Name]
7-{[3-(Trifluoromethyl)phenyl]sulfanyl}-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole [ACD/IUPAC Name]
7-{[3-(Trifluorométhyl)phényl]sulfanyl}-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole [French] [ACD/IUPAC Name]
Pyrazino[1,2-a]indole, 1,2,3,4,10,10a-hexahydro-7-[[3-(trifluoromethyl)phenyl]thio]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 496.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 253.8±28.7 °C
Index of Refraction: 1.637
Molar Refractivity: 91.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 4.92
ACD/KOC (pH 5.5): 18.48
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 206.40
ACD/KOC (pH 7.4): 775.58
Polar Surface Area: 41 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 253.7±5.0 cm3

Click to predict properties on the Chemicalize site


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