ChemSpider 2D Image | 4-Fluoromethylphenidate | C14H18FNO2

4-Fluoromethylphenidate

  • Molecular FormulaC14H18FNO2
  • Average mass251.297 Da
  • Monoisotopic mass251.132156 Da
  • ChemSpider ID26350585
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R)-(4-Fluorophényl)[(2R)-2-pipéridinyl]acétate de méthyle [French] [ACD/IUPAC Name]
2-Piperidineacetic acid, α-(4-fluorophenyl)-, methyl ester, (αR,2R)- [ACD/Index Name]
4-Fluoromethylphenidate
Methyl (2R)-(4-fluorophenyl)[(2R)-2-piperidinyl]acetate [ACD/IUPAC Name]
Methyl-(2R)-(4-fluorphenyl)[(2R)-2-piperidinyl]acetat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 329.4±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.2±3.0 kJ/mol
Flash Point: 153.0±22.3 °C
Index of Refraction: 1.511
Molar Refractivity: 66.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.06
Polar Surface Area: 38 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 222.2±3.0 cm3

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