<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:54:05 UTC</creation_date>
  <update_date>2026-08-22 13:59:31 UTC</update_date>
  <accession/>
  <common_name>1,1,1,2,3,3,3-Heptafluoropropane</common_name>
  <class>SmallMolecule</class>
  <description>1,1,1,2,3,3,3-Heptafluoropropane belongs to the organofluorides, a class of organohalogen compounds within the organic compounds. This compound has the chemical formula C3HF7 and an average molecular weight of 170.03 g/mol. In industrial settings, it is utilized as a pharmaceutical agent, a fire extinguishing agent, and as a non-motive propellant used as a blowing agent.

The compound has been identified in 17 recorded sources. Within the category of electrical and electronic equipment, it is found in antennas, amplifiers, coils, auxiliary devices, and cores yokes or armatures, among three others. It is also present in building and construction materials, specifically in roofs, ceilings, and tents or canopies. In the realm of household cleaning and consumer products, it occurs in pipe accessories, other smoking requisites, and non electric simulated smoking devices. Additionally, it is found in drinking water and water supply systems, as well as in food, cookware, and food processing applications, including the processing of meats and fermentation processes for beer. The recorded exposure route for this substance is oral.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C3HF7</chemical_formula>
  <average_molecular_weight>170.03</average_molecular_weight>
  <monisotopic_moleculate_weight>169.996647173</monisotopic_moleculate_weight>
  <iupac_name>1,1,1,2,3,3,3-heptafluoropropane</iupac_name>
  <traditional_iupac>hfc-227ea (heptafluoropropane)</traditional_iupac>
  <cas_registry_number>431-89-0</cas_registry_number>
  <smiles>FC(C(F)(F)F)C(F)(F)F</smiles>
  <inchi>InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H</inchi>
  <inchikey>YFMFNYKEUDLDTL-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organohalogen compounds</super_class>
    <class>Organofluorides</class>
    <sub_class/>
    <direct_parent>Organofluorides</direct_parent>
    <alternate_parents>
      <alternative_parent>Alkyl fluorides</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Hydrofluorocarbons</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alkyl fluoride</substituent>
      <substituent>Alkyl halide</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Hydrofluorocarbon</substituent>
      <substituent>Organofluoride</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</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>2.9</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>2.71</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-2.25</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>9.56e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>2.34</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>14.7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>1,1,1,2,3,3,3-heptafluoropropane</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>170.03</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>169.996647173</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>FC(C(F)(F)F)C(F)(F)F</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C3HF7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>YFMFNYKEUDLDTL-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>17.14</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>7.03</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>67940</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>61257</chemspider_id>
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