<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 05:17:22 UTC</creation_date>
  <update_date>2026-08-22 19:26:23 UTC</update_date>
  <accession/>
  <common_name>Perfluoroisobutyric acid</common_name>
  <class>SmallMolecule</class>
  <description>Perfluoroisobutyric acid (C4HF7O2) is an organic compound with an average molecular weight of 214.04 g/mol. Perfluoroisobutyric acid belongs to the alpha-halocarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds.

The compound is found in or released from 13 recorded sources across several sectors. In the Electrical &amp; Electronic Equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is present in textiles, leather &amp; furnishings, specifically in carpets, rugs, and synthetic textiles. Within the food, food processing &amp; cookware sector, it is linked to food packaging. Other recorded sources include medical devices in the healthcare, pharmaceuticals &amp; veterinary products sector, and lubricants used in both industrial manufacturing &amp; chemical processing as well as the energy, oil &amp; gas sectors. One additional sector is also recorded. Human exposure to perfluoroisobutyric acid occurs through recorded routes of inhalation, oral intake, and touch.</description>
  <categories/>
  <types>
    <type>PFAS</type>
  </types>
  <synonyms/>
  <chemical_formula>C4HF7O2</chemical_formula>
  <average_molecular_weight>214.039</average_molecular_weight>
  <monisotopic_moleculate_weight>213.9864768</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>335-10-4</cas_registry_number>
  <smiles>OC(=O)C(F)(C(F)(F)F)C(F)(F)F</smiles>
  <inchi>InChI=1S/C4HF7O2/c5-2(1(12)13,3(6,7)8)4(9,10)11/h(H,12,13)</inchi>
  <inchikey>YJDMCDWHXOSSHI-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>2.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>214.039</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>213.9864768</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OC(=O)C(F)(C(F)(F)F)C(F)(F)F</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C4HF7O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C4HF7O2/c5-2(1(12)13,3(6,7)8)4(9,10)11/h(H,12,13)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>YJDMCDWHXOSSHI-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>120210</pubchem_compound_id>
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  <biocyc_id/>
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  <wikipidia/>
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</compound>
