ChemSpider 2D Image | 6-Fluoro-2-{[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline | C14H13F4N3O2S

6-Fluoro-2-{[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC14H13F4N3O2S
  • Average mass363.331 Da
  • Monoisotopic mass363.066467 Da
  • ChemSpider ID79980545

More details:

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

6-Fluor-2-{[1-(2,2,2-trifluorethyl)-1H-pyrazol-4-yl]sulfonyl}-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
6-Fluoro-2-{[1-(2,2,2-trifluoroéthyl)-1H-pyrazol-4-yl]sulfonyl}-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
6-Fluoro-2-{[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 6-fluoro-1,2,3,4-tetrahydro-2-[[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]sulfonyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 459.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 231.9±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 80.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.24
ACD/KOC (pH 5.5): 737.52
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.24
ACD/KOC (pH 7.4): 737.52
Polar Surface Area: 64 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 236.0±7.0 cm3

Click to predict properties on the Chemicalize site


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