Structure database (LMSD)

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LM IDLMFA01090047
Common Name10-fluoro-capric acid
Systematic Name10-fluoro-decanoic acid
Synonyms10:0(10F)
Exact Mass
190.1369 (neutral)    Calculate m/z:
FormulaC10H19FO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHalogenated fatty acids [FA0109]
PubChem CID9542
InChIKeyLXJHQFGNWFLQTR-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H19FO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9H2,(H,12,13)
SMILESC(CCCCCCCCCF)(=O)O
StatusActive
ReferencesNatural halogenated fatty acids: their analogues and derivatives
Valery M Dembitsky and Morris Srebnik
Progress in Lipid Research,41(4), 315-367 (2002)
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
202.57Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP3.45Molar
Refractivity
51.04