ChemSpider 2D Image | 4-(1-Cyclohexen-1-ylethynyl)-2,5-difluorobenzenethiol | C14H12F2S

4-(1-Cyclohexen-1-ylethynyl)-2,5-difluorobenzenethiol

  • Molecular FormulaC14H12F2S
  • Average mass250.307 Da
  • Monoisotopic mass250.062775 Da
  • ChemSpider ID101852567

More details:

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

4-(1-Cyclohexen-1-ylethinyl)-2,5-difluorbenzolthiol [German] [ACD/IUPAC Name]
4-(1-Cyclohexen-1-ylethynyl)-2,5-difluorobenzenethiol [ACD/IUPAC Name]
4-(1-Cyclohexén-1-yléthynyl)-2,5-difluorobenzènethiol [French] [ACD/IUPAC Name]
Benzenethiol, 4-[2-(1-cyclohexen-1-yl)ethynyl]-2,5-difluoro- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 340.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.1±3.0 kJ/mol
Flash Point: 140.1±16.1 °C
Index of Refraction: 1.582
Molar Refractivity: 67.5±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 926.87
ACD/KOC (pH 5.5): 3611.29
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 21.39
ACD/KOC (pH 7.4): 83.32
Polar Surface Area: 39 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 202.4±5.0 cm3

Click to predict properties on the Chemicalize site


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