Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01090034
Common Name16-fluoro-hexadecanoic acid
Systematic Name16-fluoro-hexadecanoic acid
SynonymsHexadecanoic acid, 16-fluoro-; 16-Fluoropalmitic acid
Exact Mass
274.2308 (neutral)    Calculate m/z:
FormulaC16H31FO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHalogenated fatty acids [FA0109]
LIPIDAT ID3683
PubChem CID151081
PlantFA ID10183
InChIKeyPNNLLDRVJFDXNL-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H31FO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1-15H2,(H,1
8,19)
SMILESC(CCCCCCCCCCCCCCCF)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
306.37Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.79Molar
Refractivity
78.74