<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 06:57:57 UTC</creation_date>
  <update_date>2026-08-23 16:32:52 UTC</update_date>
  <accession/>
  <common_name>1,1,1,2,3,3,5,5,5-Nonafluoro-4-iodo-2-(trifluoromethyl)pentane</common_name>
  <class>SmallMolecule</class>
  <description>1,1,1,2,3,3,5,5,5-Nonafluoro-4-iodo-2-(trifluoromethyl)pentane is an organic compound with the chemical formula C6HF12I and an average molecular weight of 427.96 g/mol. 1,1,1,2,3,3,5,5,5-Nonafluoro-4-iodo-2-(trifluoromethyl)pentane belongs to the organoiodides, a class of organohalogen compounds within the organic compounds.

The compound is found in or released from 13 recorded sources across several sectors. In the electrical and electronic equipment sector, it is associated with cell phones, capacitors, batteries, printed circuit boards, wires and cables, and one additional source. It is present in food packaging within the food, food processing and cookware sector, and in medical devices within the healthcare, pharmaceuticals and veterinary products sector. Additionally, the compound is found in synthetic textiles as well as carpets and rugs within the textiles, leather and furnishings sector. In the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, it is utilized in lubricants. One other sector is also recorded as a source. Recorded exposure routes for this compound include inhalation, oral, and touch.</description>
  <categories/>
  <types>
    <type>PFAS</type>
  </types>
  <synonyms/>
  <chemical_formula>C6HF12I</chemical_formula>
  <average_molecular_weight>427.959</average_molecular_weight>
  <monisotopic_moleculate_weight>427.8931367</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>922524-00-3</cas_registry_number>
  <smiles>FC(F)(F)C(I)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F</smiles>
  <inchi>InChI=1S/C6HF12I/c7-2(8,1(19)3(9,10)11)4(12,5(13,14)15)6(16,17)18/h1H</inchi>
  <inchikey>XNCBATRFONZBGA-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>5.5</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>427.959</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>427.8931367</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>FC(F)(F)C(I)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6HF12I</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C6HF12I/c7-2(8,1(19)3(9,10)11)4(12,5(13,14)15)6(16,17)18/h1H</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XNCBATRFONZBGA-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:0x00007f72266ec770&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>71446394</pubchem_compound_id>
  <chembl_id/>
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  <biocyc_id/>
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  <wikipidia/>
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</compound>
