Structure Database (LMSD)

Common Name
2,2-difluoro-hexadecanoic acid
Systematic Name
2,2-difluoro-hexadecanoic acid
Synonyms
  • Hexadecanoic acid, 2,2-difluoro-
LM ID
LMFA01090042
Formula
C16H30O2F2
Exact Mass
Calculate m/z
292.221386
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Halogenated fatty acids [FA0109]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Difluoropalmitic acids as potential inhibitors of the biosynthesis of the sex pheromone of the Egyptian armyworm Spodoptera littoralis--IV.,
Bioorg Med Chem, 1996
Pubmed ID: 8733628

String Representations

InChiKey (Click to copy)
HGVDJVRXKWKSJP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H30F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17,18)15(19)20/h2-14H2,1H3,(H,19,20)
SMILES (Click to copy)
C(C(F)(F)CCCCCCCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
9164
CHEBI ID
169511
PubChem CID
5312960

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 312.44
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.08
Molar Refractivity 78.79

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Created at
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Updated at
8th Dec 2023