Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01090045
Common Name18-fluoro-octadecanoic acid
Systematic Name18-fluoro-octadecanoic acid
SynonymsOctadecanoic acid, 18-fluoro-
Exact Mass
302.2621 (neutral)    Calculate m/z:
FormulaC18H35FO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHalogenated fatty acids [FA0109]
Alternative ClassesOctadecanoids[FA02]
LIPIDAT ID3685
PubChem CID9858
InChIKeyGYUYQQCJINXTSG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H35FO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-17H
2,(H,20,21)
SMILESC(CCCCCCCCCCCCCCCCCF)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
340.97Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.57Molar
Refractivity
87.97