45331 <common-name>12:2 FTOH</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>20977797</pubchem-id> <chemical-formula>C14HF29O</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-06-03T11:53:47Z</created-at> <updated-at type="dateTime">2026-03-26T19:22:11Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</moldb-smiles> <moldb-formula>C14HF29O</moldb-formula> <moldb-inchi>InChI=1S/C14HF29O/c15-1(16,3(19,20)5(23,24)7(27,28)9(31,32)11(35,36)13(39,40)41)2(17,18)4(21,22)6(25,26)8(29,30)10(33,34)12(37,38)14(42,43)44/h44H</moldb-inchi> <moldb-inchikey>TXMPTAHATHTQKU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">736.115</moldb-average-mass> <moldb-mono-mass type="decimal">735.956431379</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM044226</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>NORMAN 2011</stoff-ident-origin> <stoff-ident-id>SI00005338</stoff-ident-id> <susdat-id>NS00001113</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>20.23</moldb-polar-surface-area> <moldb-refractivity>70.29250000000006</moldb-refractivity> <moldb-polarizability>31.359248975321215</moldb-polarizability> <moldb-rotatable-bond-count>13</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>4.464167194164717</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-7.407173269272353</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>5.92</moldb-alogps-logp> <moldb-alogps-logs>-4.23</moldb-alogps-logs> <moldb-alogps-solubility>4.31e-02 g/l</moldb-alogps-solubility> </compound>