Structure Database (LMSD)

Common Name
16-fluoro-hexadecanoic acid
Systematic Name
16-fluoro-hexadecanoic acid
Synonyms
  • Hexadecanoic acid, 16-fluoro-
  • 16-Fluoropalmitic acid
LM ID
LMFA01090034
Status
Active
Exact Mass
Calculate m/z
274.230808
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)
PNNLLDRVJFDXNL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H31FO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1-15H2,(H,18,19)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCF)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Dichapetalum (#4314)
Magnoliopsida (#3398)
Natural halogenated fatty acids: their analogues and derivatives.,
Prog Lipid Res, 2002
Pubmed ID: 11958814

Other Databases

LIPIDAT ID
3683
KEGG ID
CHEBI ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 306.37
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.79
Molar Refractivity 78.74

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Updated at
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