ChemSpider 2D Image | 2-[(Trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydro-6-isoquinolinol | C10H10F3NO3S

2-[(Trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydro-6-isoquinolinol

  • Molecular FormulaC10H10F3NO3S
  • Average mass281.251 Da
  • Monoisotopic mass281.033356 Da
  • ChemSpider ID26329317

More details:

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

2-[(Trifluormethyl)sulfonyl]-1,2,3,4-tetrahydro-6-isochinolinol [German] [ACD/IUPAC Name]
2-[(Trifluorométhyl)sulfonyl]-1,2,3,4-tétrahydro-6-isoquinoléinol [French] [ACD/IUPAC Name]
2-[(Trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydro-6-isoquinolinol [ACD/IUPAC Name]
2-[(Trifluoromethyl)sulfonyl]-1,2,3,4-Tetrahydroisoquinolin-6-Ol
6-Isoquinolinol, 1,2,3,4-tetrahydro-2-[(trifluoromethyl)sulfonyl]- [ACD/Index Name]
W23

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

Density: 1.6±0.1 g/cm3
Boiling Point: 373.4±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 179.6±30.7 °C
Index of Refraction: 1.572
Molar Refractivity: 57.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 152.59
ACD/KOC (pH 5.5): 1272.24
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 151.59
ACD/KOC (pH 7.4): 1263.89
Polar Surface Area: 66 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 175.8±5.0 cm3

Click to predict properties on the Chemicalize site


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