hexafluoropropylene oxide trimer acid (CHEBI:230529)

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CHEBI:230529 - hexafluoropropylene oxide trimer acid

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ChEBI ID	CHEBI:230529
ChEBI Name	hexafluoropropylene oxide trimer acid
Stars
Definition	A polyfluoroalkyl substance with formula C₉HF₁₇O₄. It is an environmental contaminant found in drinking water, food, and human blood samples at low levels. It enters the environment through wastewater treatment plants or by atmospheric deposition and causes health effects in laboratory animals and humans leading to changes in thyroid hormone levels, decreased fertility rates, increased cholesterol levels, liver damage, and developmental toxicity.
Last Modified	22 May 2024
Submitter	jonmuyskens
Downloads	Molfile

Formula	C9HF17O4
Net Charge	0
Average Mass	496.069
Monoisotopic Mass	495.96034
SMILES	O=C(O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChI	InChI=1S/C9HF17O4/c10-2(1(27)28,5(14,15)16)29-9(25,26)4(13,7(20,21)22)30-8(23,24)3(11,12)6(17,18)19/h(H,27,28)
InChIKey	OIVQVBDAMYDDEM-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 Roles:	apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. cardiotoxic agent A role played by a chemical compound exhibiting itself through the ability to induce damage to the heart and cardiomyocytes. hepatotoxic agent A role played by a chemical compound exhibiting itself through the ability to induce damage to the liver in animals.

ChEBI Ontology

Outgoing Relation(s)
	hexafluoropropylene oxide trimer acid (CHEBI:230529) has role apoptosis inducer (CHEBI:68495)
	hexafluoropropylene oxide trimer acid (CHEBI:230529) has role cardiotoxic agent (CHEBI:50912)
	hexafluoropropylene oxide trimer acid (CHEBI:230529) has role environmental contaminant (CHEBI:78298)
	hexafluoropropylene oxide trimer acid (CHEBI:230529) has role hepatotoxic agent (CHEBI:50908)
	hexafluoropropylene oxide trimer acid (CHEBI:230529) is a diether (CHEBI:46786)
	hexafluoropropylene oxide trimer acid (CHEBI:230529) is a monocarboxylic acid (CHEBI:25384)
	hexafluoropropylene oxide trimer acid (CHEBI:230529) is a polyfluoroalkyl substance (CHEBI:172406)

IUPAC Name
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoic acid

Synonyms	Source
perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid	SUBMITTER
HFPO-TA	SUBMITTER
perfluoro-2,5-dimethyl-3,6-dioxa-nonanoic acid	ChEBI
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-propanoic acid	ChEBI
X 70-540-3	ChEBI
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoic acid	ChEBI

Registry Numbers	Sources
CAS:13252-14-7	ChEBI

Citations