CHEBI:83493 - perfluoroundecanoic acid

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ChEBI Name perfluoroundecanoic acid
ChEBI ID CHEBI:83493
Definition A fluoroalkanoic acid that is perfluorinated undecanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB5262641, eMolecules:508969, ZINC000095681634
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Formula C11HF21O2
Net Charge 0
Average Mass 564.09090
Monoisotopic Mass 563.96412
InChI InChI=1S/C11HF21O2/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h(H,33,34)
InChIKey SIDINRCMMRKXGQ-UHFFFAOYSA-N
SMILES OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
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ChEBI Ontology
Outgoing perfluoroundecanoic acid (CHEBI:83493) has functional parent undecanoic acid (CHEBI:32368)
perfluoroundecanoic acid (CHEBI:83493) has role environmental contaminant (CHEBI:78298)
perfluoroundecanoic acid (CHEBI:83493) has role xenobiotic (CHEBI:35703)
perfluoroundecanoic acid (CHEBI:83493) is a fluoroalkanoic acid (CHEBI:35551)
IUPAC Name
henicosafluoroundecanoic acid
Registry Numbers Types Sources
2058-94-8 CAS Registry Number ChemIDplus
2318888 Reaxys Registry Number Reaxys
Citations Waiting for Citations
Last Modified
12 November 2014