CHEBI:35547 - perfluoroheptanoic acid

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ChEBI Name perfluoroheptanoic acid
ChEBI ID CHEBI:35547
Definition A fluoroalkanoic acid that is perfluorinated heptanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB0452742, eMolecules:508571, ZINC000001688068
Download Molfile XML SDF
Formula C7HF13O2
Net Charge 0
Average Mass 364.06090
Monoisotopic Mass 363.97690
InChI InChI=1S/C7HF13O2/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H,21,22)
InChIKey ZWBAMYVPMDSJGQ-UHFFFAOYSA-N
SMILES OC(=O)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 perfluoroheptanoic acid (CHEBI:35547) has functional parent heptanoic acid (CHEBI:45571)
perfluoroheptanoic acid (CHEBI:35547) has functional parent perfluoroheptane (CHEBI:38847)
perfluoroheptanoic acid (CHEBI:35547) has role environmental contaminant (CHEBI:78298)
perfluoroheptanoic acid (CHEBI:35547) has role xenobiotic (CHEBI:35703)
perfluoroheptanoic acid (CHEBI:35547) is a fluoroalkanoic acid (CHEBI:35551)
IUPAC Name
tridecafluoroheptanoic acid
Synonyms Sources
perfluoro-n-heptanoic acid ChemIDplus
perfluoroheptanoic acid ChemIDplus
tridecafluoro-1-heptanoic acid ChemIDplus
Registry Numbers Types Sources
1808210 Reaxys Registry Number Reaxys
375-85-9 CAS Registry Number ChemIDplus
589811 Gmelin Registry Number Gmelin
Citations
Last Modified
12 November 2014