Structure database (LMSD)

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LM IDLMFA01070022
Common Name18-Fluoro-9,10-Epoxyoctadecanoic acid
Systematic Name18-Fluoro-9,10-Epoxyoctadecanoic acid
Synonyms18-Fluoro-9,10-Epoxyoctadecansaeure
Exact Mass
316.2414 (neutral)    Calculate m/z:
FormulaC18H33O3F
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassEpoxy fatty acids [FA0107]
Alternative ClassesHalogenated fatty acids[FA0109], Octadecanoids[FA02]
PubChem CID129844165
PlantFA ID10542
InChIKeyASQQIVAJPKUHQO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H33FO3/c19-15-11-7-2-1-4-8-12-16-17(22-16)13-9-5-3-6-10-14-18(20)21/
h16-17H,1-15H2,(H,20,21)
SMILESC(CCCCCCCC1OC1CCCCCCCCF)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings1Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
337.40Topological Polar
Surface Area
49.83Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP6.13Molar
Refractivity
88.42