<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 05:39:25 UTC</creation_date>
  <update_date>2026-08-27 18:45:47 UTC</update_date>
  <accession/>
  <common_name>2-(Heptafluoropropyl)-1,3,5-trimethoxybenzene</common_name>
  <class>SmallMolecule</class>
  <description>2-(Heptafluoropropyl)-1,3,5-trimethoxybenzene is an organic compound with the formula C12H11F7O3 and an average molecular weight of 336.21 g/mol. 2-(Heptafluoropropyl)-1,3,5-trimethoxybenzene belongs to the anisoles, a subclass of phenol ethers within the organic compounds. It is further classified as part of the benzenoids superclass.

This compound has been identified in or released from 13 recorded sources across various sectors. In the area of electrical and electronic equipment, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. Within the textiles, leather and furnishings sector, it is found in carpets, rugs, and synthetic textiles. Other recorded sources include food packaging from the food, food processing and cookware sector, medical devices from the healthcare, pharmaceuticals and veterinary products sector, and lubricants used in both industrial manufacturing and chemical processing as well as the energy, oil and gas sector. One additional sector is also recorded as a source. Human exposure to the compound can occur through inhalation, oral ingestion, and touch.</description>
  <categories/>
  <types>
    <type>PFAS</type>
  </types>
  <synonyms/>
  <chemical_formula>C12H11F7O3</chemical_formula>
  <average_molecular_weight>336.206</average_molecular_weight>
  <monisotopic_moleculate_weight>336.0596418</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1422444-58-3</cas_registry_number>
  <smiles>COC1=CC(OC)=C(C(OC)=C1)C(F)(F)C(F)(F)C(F)(F)F</smiles>
  <inchi>InChI=1S/C12H11F7O3/c1-20-6-4-7(21-2)9(8(5-6)22-3)10(13,14)11(15,16)12(17,18)19/h4-5H,1-3H3</inchi>
  <inchikey>BNKPDMYYQVYLGE-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>4.1</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>336.206</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>336.0596418</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>COC1=CC(OC)=C(C(OC)=C1)C(F)(F)C(F)(F)C(F)(F)F</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C12H11F7O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C12H11F7O3/c1-20-6-4-7(21-2)9(8(5-6)22-3)10(13,14)11(15,16)12(17,18)19/h4-5H,1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>BNKPDMYYQVYLGE-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f721ba2cc60&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>102525563</pubchem_compound_id>
  <chembl_id/>
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  <kegg_id/>
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  <biocyc_id/>
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  <wikipidia/>
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</compound>
