Structure database (LMSD)

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LM IDLMFA01090049
Common Name16-fluoro-7Z-hexadecenoic acid
Systematic Name16-fluoro-7Z-hexadecenoic acid
Synonyms16:1(7Z)(16F)
Exact Mass
272.2152 (neutral)    Calculate m/z:
FormulaC16H29FO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHalogenated fatty acids [FA0109]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID56935804
InChIKeyIOVAKPNDTNJMGW-RQOWECAXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H29FO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h2,4H,1,3,5-
15H2,(H,18,19)/b4-2-
SMILESC(CCCCC/C=C\CCCCCCCCF)(=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 Atoms19Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
303.73Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.56Molar
Refractivity
78.64