<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">364614</id>
  <title nil="true"/>
  <common-name>6-methyl-2-[(1r,2r)-2-(trifluoromethyl)cyclopropyl]-1,3,6,2-dioxazaborocane-4,8-dione</common-name>
  <description>6-methyl-2-[(1r,2r)-2-(trifluoromethyl)cyclopropyl]-1,3,6,2-dioxazaborocane-4,8-dione is a chemical compound with the formula C9H11BF3NO4. It has an average molecular weight of 265.00 g/mol.</description>
  <cas>2735700-22-6</cas>
  <pubchem-id>67951111</pubchem-id>
  <chemical-formula>C9H11BF3NO4</chemical-formula>
  <weight>265</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">2026-09-01T14:47:23Z</created-at>
  <updated-at type="dateTime">2026-09-01T14:47:23Z</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>B1(OC(=O)CN(CC(=O)O1)C)C2CC2C(F)(F)F</moldb-smiles>
  <moldb-formula>C9H11BF3NO4</moldb-formula>
  <moldb-inchi>InChI=1S/C9H11BF3NO4/c1-14-3-7(15)17-10(18-8(16)4-14)6-2-5(6)9(11,12)13/h5-6H,2-4H2,1H3/t5-,6-/m1/s1</moldb-inchi>
  <moldb-inchikey>MZVOQXONPHPGGX-PHDIDXHHSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">265.0733225</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>CHEM360507</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>6-methyl-2-[(1r,2r)-2-(trifluoromethyl)cyclopropyl]-1,3,6,2-dioxazaborocane-4,8-dione</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0314594</sync-id>
  <structure-inchikey>MZVOQXONPHPGGX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000004000000100000000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000004208000000000000000000000000000000000000000000000000000000000000000000a0100000000200400000000100000000040000000000000000000004000020000000000000001000000000000000800000040000000000002080000000000000000040000000000000000000000000000000000000000000020000000000000000000200000000000000000000000000000000000000040000000000000800020000000000050000000080000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���(�������(�������(�������(�������`������� ������`�������(�������(�������(�������`�������`�������`�������`������� ����	� ����	� ����	� ���������� ��(���������������(��	 �
��������������������	����B�����������	��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:00:59Z</structure-indexed-at>
</compound>
