279868 <common-name>(e)-1,1,1,7,7,7-hexafluoro-4-methyl-2,6-bis(trifluoromethyl)hept-3-ene-2,6-diol</common-name> <description>(e)-1,1,1,7,7,7-hexafluoro-4-methyl-2,6-bis(trifluoromethyl)hept-3-ene-2,6-diol belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C10H8F12O2 and an average molecular weight of 388.15 g/mol. It is classified under the superclass of organic oxygen compounds and the class of organooxygen compounds.</description> <cas>756-91-2</cas> <pubchem-id>6438224</pubchem-id> <chemical-formula>C10H8F12O2</chemical-formula> <weight>388.15</weight> <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">2026-08-26T19:47:54Z</created-at> <updated-at type="dateTime">2026-08-26T19:47:54Z</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>CC(=CC(C(F)(F)F)(C(F)(F)F)O)CC(C(F)(F)F)(C(F)(F)F)O</moldb-smiles> <moldb-formula>C10H8F12O2</moldb-formula> <moldb-inchi>InChI=1S/C10H8F12O2/c1-4(2-5(23,7(11,12)13)8(14,15)16)3-6(24,9(17,18)19)10(20,21)22/h2,23-24H,3H2,1H3/b4-2+</moldb-inchi> <moldb-inchikey>PTHJGFDUQRGSRD-DUXPYHPUSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">388.0332674</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.4</logp> <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>CHEM275761</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>(e)-1,1,1,7,7,7-hexafluoro-4-methyl-2,6-bis(trifluoromethyl)hept-3-ene-2,6-diol</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Alcohols and polyols</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0059957</sync-id> <structure-inchikey>PTHJGFDUQRGSRD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000800000002000000000000000000000000000000008000000000000000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000010000000000000000000000000000080002000000000000000008400000000044000000000000000000000008000000000000000008000000000000000000000000000000000000000000000800000200040000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000080000800200000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������h�������� ������ ���� � ���� � ���� � ������ ���� � ���� � ���� � ������`�������`������� ������ ���� � ���� � ���� � ������ ���� � ���� � ���� � ������`�������������������������������� �� �������� � �����������������������������B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:55:05Z</structure-indexed-at> </compound>