Structure database (LMSD)
Return to Databases Overview

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01090042
Common Name2,2-difluoro-hexadecanoic acid
Systematic Name2,2-difluoro-hexadecanoic acid
SynonymsHexadecanoic acid, 2,2-difluoro-
Exact Mass
292.2214 (neutral)    Calculate m/z:
FormulaC16H30F2O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHalogenated fatty acids [FA0109]
LIPIDAT ID9164
PubChem CID5312960
InChIKeyHGVDJVRXKWKSJP-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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)
Click to highlight InChI
SMILES
C(C(F)(F)CCCCCCCCCCCCCC)(=O)O
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume		312.44Topological Polar
Surface Area		37.30Hydrogen
Bond Donors		1Hydrogen
Bond Acceptors		2
 logP6.08Molar
Refractivity		78.79