ChemSpider 2D Image | 2-{[1-(2,2-Difluoroethyl)-1H-pyrazol-4-yl]sulfonyl}-5,8-difluoro-1,2,3,4-tetrahydroisoquinoline | C14H13F4N3O2S

2-{[1-(2,2-Difluoroethyl)-1H-pyrazol-4-yl]sulfonyl}-5,8-difluoro-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC14H13F4N3O2S
  • Average mass363.331 Da
  • Monoisotopic mass363.066467 Da
  • ChemSpider ID79998669

More details:

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

2-{[1-(2,2-Difluorethyl)-1H-pyrazol-4-yl]sulfonyl}-5,8-difluor-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
2-{[1-(2,2-Difluoroéthyl)-1H-pyrazol-4-yl]sulfonyl}-5,8-difluoro-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
2-{[1-(2,2-Difluoroethyl)-1H-pyrazol-4-yl]sulfonyl}-5,8-difluoro-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 2-[[1-(2,2-difluoroethyl)-1H-pyrazol-4-yl]sulfonyl]-5,8-difluoro-1,2,3,4-tetrahydro- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 492.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.6±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 79.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 69.73
ACD/KOC (pH 5.5): 726.32
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.73
ACD/KOC (pH 7.4): 726.32
Polar Surface Area: 64 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 230.6±7.0 cm3

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