2,2-difluoro-hexadecanoic acid (CHEBI:169511)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2,2-difluoro-hexadecanoic acid

ChEBI ID	CHEBI:169511

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H30F2O2

Net Charge

Average Mass

292.411

Monoisotopic Mass

292.22139

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)

InChIKey

HGVDJVRXKWKSJP-UHFFFAOYSA-N

SMILES

FC(F)(CCCCCCCCCCCCCC)C(O)=O

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	2,2-difluoro-hexadecanoic acid (CHEBI:169511) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

2,2-diluorohexadecanoic acid