108764 <common-name>(1R,4R,5S)-4-(1,1-Dichloro-2,2,2-trifluoroethyl)-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one</common-name> <description>(1R,4R,5S)-4-(1,1-Dichloro-2,2,2-trifluoroethyl)-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one belongs to the delta valerolactones, a subclass of lactones within the organic compounds. This organoheterocyclic compound has the chemical formula C9H9Cl2F3O2 and an average molecular weight of 277.06 g/mol. It has been found in or released from one recorded source, specifically drinking water and water supply. The recorded exposure route for this compound is oral.</description> <cas>187592-70-7</cas> <pubchem-id>10945730</pubchem-id> <chemical-formula>C9H9Cl2F3O2</chemical-formula> <weight>277.06</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">2026-04-05T16:46:51Z</created-at> <updated-at type="dateTime">2026-08-25T22:43:08Z</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>CC1(C)[C@@H]2[C@H]1C(=O)O[C@H]2C(Cl)(Cl)C(F)(F)F</moldb-smiles> <moldb-formula>C9H9Cl2F3O2</moldb-formula> <moldb-inchi>InChI=1S/C9H9Cl2F3O2/c1-7(2)3-4(7)6(15)16-5(3)8(10,11)9(12,13)14/h3-5H,1-2H3/t3-,4+,5-/m1/s1</moldb-inchi> <moldb-inchikey>GMWQNPAZOIIJSH-MROZADKFSA-N</moldb-inchikey> <moldb-average-mass type="decimal">277.06</moldb-average-mass> <moldb-mono-mass type="decimal">275.9931695</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>9120956</chemspider-id> <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>CHEM104657</chemdb-id> <dsstox-id>DTXSID201119567</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00077370</susdat-id> <iupac>(1R,4R,5S)-4-(1,1-Dichloro-2,2,2-trifluoroethyl)-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one</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>Organoheterocyclic compounds</superklass> <klass>Lactones</klass> <subklass>Delta valerolactones</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0175695</sync-id> <structure-inchikey>GMWQNPAZOIIJSH-MROZADKFSA-N</structure-inchikey> <structure-fingerprint>800000000001000000000000020000000000000000000000000000000000000000000000000202000000000000000000400000000000000000000000000000000000404000000000000000000000000208000000000000000000000020000000000001000000000000000000000000000000020040000000100000a0040100000000048000000000000000000000000000004000000100000000000000020000000000000000000000000080000000000000000040000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000800000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEQAAAIABBgBgAAAAAQMGACAAAAAE BgBgAAAAAQMGIDQAAAACAQQGIDQAAAABAQQGACgAAAADBAgAKAAAAAMCCAAo AAAAAwIGIDQAAAABAQQGACAAAAAEEQAgAAAAAREAIAAAAAEGACAAAAAECQAg AAAAAQkAIAAAAAEJACAAAAABCwABAAECAAEDAAMEAAQFAAUGKAIFByAHCAAI CQAJCgAJCwAJDAAMDQAMDgAMDwAEAQAIAwBCAgAAAAMBAwQFBQQDCAcXBAAA AAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:43:16Z</structure-indexed-at> </compound>