ChemSpider 2D Image | 6-(Difluoromethyl)isoquinoline | C10H7F2N

6-(Difluoromethyl)isoquinoline

  • Molecular FormulaC10H7F2N
  • Average mass179.166 Da
  • Monoisotopic mass179.054657 Da
  • ChemSpider ID27474014

More details:

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

1204298-75-8 [RN]
6-(Difluormethyl)isochinolin [German] [ACD/IUPAC Name]
6-(Difluorométhyl)isoquinoléine [French] [ACD/IUPAC Name]
6-(Difluoromethyl)isoquinoline [ACD/IUPAC Name]
Isoquinoline, 6-(difluoromethyl)- [ACD/Index Name]
6-(Difluoromethyl)isoquinoline (en)
MFCD12827727

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

Density: 1.2±0.1 g/cm3
Boiling Point: 281.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 49.9±3.0 kJ/mol
Flash Point: 124.0±24.6 °C
Index of Refraction: 1.569
Molar Refractivity: 47.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 49.09
ACD/KOC (pH 5.5): 546.10
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.22
ACD/KOC (pH 7.4): 614.36
Polar Surface Area: 13 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 144.7±3.0 cm3

Click to predict properties on the Chemicalize site


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