<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:55:16 UTC</creation_date>
  <update_date>2026-05-14 19:30:15 UTC</update_date>
  <accession/>
  <common_name>1,1,1,3,3-Pentafluoropropane</common_name>
  <class>SmallMolecule</class>
  <description>1,1,1,3,3-Pentafluoropropane belongs to the organofluorides, a class of organohalogen compounds within the organic compounds. This compound has the chemical formula C3H3F5 and an average molecular weight of 134.05 g/mol.

In industrial applications, 1,1,1,3,3-Pentafluoropropane is utilized as a solvent, a deodorizer, and as non-motive propellants serving as blowing agents. It is used in the production of plastics, specifically polyurethane and polystyrene. The compound is released from or found in six recorded sources, including electrical and electronic equipment such as electric switches, coils, and antennas, as well as building and construction materials including tents or canopies, roofs, and ceilings.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>Pentafluoropropane</synonym>
  </synonyms>
  <chemical_formula>C3H3F5</chemical_formula>
  <average_molecular_weight>134.049</average_molecular_weight>
  <monisotopic_moleculate_weight>134.015490912</monisotopic_moleculate_weight>
  <iupac_name>1,1,1,3,3-pentafluoropropane</iupac_name>
  <traditional_iupac>hfc-245fa</traditional_iupac>
  <cas_registry_number>460-73-1</cas_registry_number>
  <smiles>FC(F)CC(F)(F)F</smiles>
  <inchi>InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2</inchi>
  <inchikey>MSSNHSVIGIHOJA-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>
    <pathway>
      <name>Pentafluoropropane Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0144917</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>1.49</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>1.52</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-1.00</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.34e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>1.49</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>1,1,1,3,3-pentafluoropropane</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>134.049</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>134.015490912</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>FC(F)CC(F)(F)F</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C3H3F5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>MSSNHSVIGIHOJA-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>16.43</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>6.85</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>DB13117</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>68030</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>61345</chemspider_id>
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