ChemSpider 2D Image | Ethyl 6,6-difluoro-octahydroisoquinoline-3-carboxylate | C12H17F2NO2

Ethyl 6,6-difluoro-octahydroisoquinoline-3-carboxylate

  • Molecular FormulaC12H17F2NO2
  • Average mass245.266 Da
  • Monoisotopic mass245.122742 Da
  • ChemSpider ID44253966

More details:

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

1403766-53-9 [RN]
3-Isoquinolinecarboxylic acid, 6,6-difluoro-1,2,3,4,4a,5,6,7-octahydro-, ethyl ester [ACD/Index Name]
6,6-Difluoro-1,2,3,4,4a,5,6,7-octahydro-3-isoquinoléinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6,6-difluoro-1,2,3,4,4a,5,6,7-octahydro-3-isoquinolinecarboxylate [ACD/IUPAC Name]
Ethyl 6,6-difluoro-octahydroisoquinoline-3-carboxylate
Ethyl-6,6-difluor-1,2,3,4,4a,5,6,7-octahydro-3-isochinolincarboxylat [German] [ACD/IUPAC Name]
Ethyl 6,6-difluoro-1,2,3,4,4a,5,6,7-octahydroisoquinoline-3-carboxylate
MFCD23106362

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

Density: 1.2±0.1 g/cm3
Boiling Point: 312.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.3±3.0 kJ/mol
Flash Point: 142.6±27.9 °C
Index of Refraction: 1.485
Molar Refractivity: 58.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.56
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 20.94
ACD/KOC (pH 7.4): 259.54
Polar Surface Area: 38 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 35.0±5.0 dyne/cm
Molar Volume: 205.5±5.0 cm3

Click to predict properties on the Chemicalize site


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