EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:35547 - perfluoroheptanoic acid

ChEBI IDCHEBI:35547
ChEBI Nameperfluoroheptanoic acid
Stars
DefinitionA fluoroalkanoic acid that is perfluorinated heptanoic acid.
Last Modified12 November 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC7HF13O2
Net Charge0
Average Mass364.057
Monoisotopic Mass363.97690
SMILESO=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=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)
InChIKeyZWBAMYVPMDSJGQ-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
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 (Brønsted base).
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
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  Source
perfluoro-n-heptanoic acidChemIDplus
tridecafluoro-1-heptanoic acidChemIDplus
perfluoroheptanoic acidChemIDplus
Registry NumbersSources
Gmelin:589811Gmelin
Reaxys:1808210Reaxys
CAS:375-85-9ChemIDplus
Citations