Structure database (LMSD)

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LM IDLMFA01090041
Common Name2-fluoro-hexadecanoic acid
Systematic Name2-fluoro-hexadecanoic acid
SynonymsHexadecanoic acid, 2-fluoro-; 2-Fluoropalmitic acid
Exact Mass
274.2308 (neutral)    Calculate m/z:
FormulaC16H31FO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHalogenated fatty acids [FA0109]
LIPIDAT ID9162
PubChem CID1560
CHEBI ID94978
CAYMAN ID90380
InChIKeyJGRIJJOLCNCSNX-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H31FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)
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SMILES
C(C(F)CCCCCCCCCCCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
306.37Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.79Molar
Refractivity
78.74