Structure Database (LMSD)

Common Name
18-fluoro-octadecanoic acid
Systematic Name
18-fluoro-octadecanoic acid
Synonyms
  • Octadecanoic acid, 18-fluoro-
LM ID
LMFA01090045
Status
Active
Exact Mass
Calculate m/z
302.262108
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
GYUYQQCJINXTSG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H35FO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-17H2,(H,20,21)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCF)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Dichapetalum (#4314)
Magnoliopsida (#3398)
Fluoro fatty acids in seed oil of Dichapetalum toxicarium,
Phytochemistry, 1997

Other Databases

LIPIDAT ID
3685
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 340.97
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.57
Molar Refractivity 87.97

Admin

Created at
-
Updated at
31st May 2022