Structure database (LMSD)

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LM IDLMFA01090035
Common Name18-fluoro-9Z-octadecenoic acid
Systematic Name18-fluoro-9Z-octadecenoic acid
Synonyms9-Octadecenoic acid, 18-fluoro-, (Z)-; Oleic acid, 18-fluoro-
Exact Mass
300.2465 (neutral)    Calculate m/z:
FormulaC18H33FO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHalogenated fatty acids [FA0109]
Alternative ClassesUnsaturated fatty acids[FA0103], Octadecanoids[FA02]
LIPIDAT ID3686
PubChem CID5312955
PlantFA ID10184
InChIKeyXZCKFYWUUUBKNC-UPHRSURJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H33FO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2H,
3-17H2,(H,20,21)/b2-1-
SMILESC(CCCCCCC/C=C\CCCCCCCCF)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
338.33Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.34Molar
Refractivity
87.88