ChemSpider 2D Image | 5-(Trifluoromethyl)isoquinoline | C10H6F3N

5-(Trifluoromethyl)isoquinoline

  • Molecular FormulaC10H6F3N
  • Average mass197.156 Da
  • Monoisotopic mass197.045227 Da
  • ChemSpider ID21436713

More details:

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

120568-09-4 [RN]
5-(Trifluormethyl)isochinolin [German] [ACD/IUPAC Name]
5-(Trifluorométhyl)isoquinoléine [French] [ACD/IUPAC Name]
5-(Trifluoromethyl)isoquinoline [ACD/IUPAC Name]
Isoquinoline, 5-(trifluoromethyl)- [ACD/Index Name]
MFCD11100536 [MDL number]
MS-20534

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

Density: 1.3±0.1 g/cm3
Boiling Point: 258.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.6±3.0 kJ/mol
Flash Point: 109.8±25.9 °C
Index of Refraction: 1.540
Molar Refractivity: 47.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 92.60
ACD/KOC (pH 5.5): 876.70
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 97.52
ACD/KOC (pH 7.4): 923.24
Polar Surface Area: 13 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 33.8±3.0 dyne/cm
Molar Volume: 150.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement