ChemSpider 2D Image | [2-(3-Fluorophenyl)adamantan-2-yl]acetic acid | C18H21FO2

[2-(3-Fluorophenyl)adamantan-2-yl]acetic acid

  • Molecular FormulaC18H21FO2
  • Average mass288.357 Da
  • Monoisotopic mass288.152557 Da
  • ChemSpider ID28484416

More details:

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

[2-(3-Fluorophenyl)adamantan-2-yl]acetic acid [ACD/IUPAC Name]
[2-(3-Fluorphenyl)adamantan-2-yl]essigsäure [German] [ACD/IUPAC Name]
Acide [2-(3-fluorophényl)adamantan-2-yl]acétique [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-2-acetic acid, 2-(3-fluorophenyl)- [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: 439.6±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 219.7±24.0 °C
Index of Refraction: 1.563
Molar Refractivity: 77.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 183.43
ACD/KOC (pH 5.5): 805.38
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 2.89
ACD/KOC (pH 7.4): 12.70
Polar Surface Area: 37 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 238.5±3.0 cm3

Click to predict properties on the Chemicalize site


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