1,2,6,7-tetrafluoro-4-oxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone

C9H2F4O5 — CID 122647230

IUPAC1,2,6,7-tetrafluoro-4-oxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
SMILESO=C1CC(=O)C2(F)C1(F)C1(F)C(=O)OC(=O)C21F
InChIInChI=1S/C9H2F4O5/c10-6-2(14)1-3(15)7(6,11)9(13)5(17)18-4(16)8(6,9)12/h1H2
InChIKeyWMTRJRQIXQMMSJ-UHFFFAOYSA-N
MW266.10 g/mol
LogP-0.54
Rot. Bonds

About 1,2,6,7-tetrafluoro-4-oxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone

1,2,6,7-tetrafluoro-4-oxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone (PubChem CID 122647230) has the molecular formula C9H2F4O5 and a molecular weight of 266.10 g/mol. Its IUPAC name is 1,2,6,7-tetrafluoro-4-oxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone.

Molecular Properties

Compound Name1,2,6,7-tetrafluoro-4-oxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
PubChem CID122647230
Molecular FormulaC9H2F4O5
Molecular Weight266.10 g/mol
Exact Mass265.98
IUPAC Name1,2,6,7-tetrafluoro-4-oxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
SMILESO=C1CC(=O)C2(F)C1(F)C1(F)C(=O)OC(=O)C21F
InChIInChI=1S/C9H2F4O5/c10-6-2(14)1-3(15)7(6,11)9(13)5(17)18-4(16)8(6,9)12/h1H2
InChIKeyWMTRJRQIXQMMSJ-UHFFFAOYSA-N
XLogP-0.54
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1,2,6,7-tetrafluoro-4-oxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone with MolForge

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Related Compounds

1,2,6,7,10,10-hexafluoro-8,9-bis(trifluoromethyl)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 139919656
3-ethyl-3-fluorooxetane-2,4-dione
CID 174939367
3,4,4,5-tetrafluoro-3,5-bis(trifluoromethyl)oxane-2,6-dione
CID 87925233
(1S,5S)-1,5-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione
CID 98524070
spiro[3.4]oct-6-ene-1,3-dione
CID 55296259
3,3,4,4,5-pentafluoro-5-methyloxane-2,6-dione
CID 165100383
(1S,6R)-8,10-dioxatricyclo[4.3.1.01,6]decane-7,9-dione
CID 88796151
3a,7a-dibromo-4,5,6,7-tetrahydro-2-benzofuran-1,3-dione
CID 101317594
(1R,2R,6R,7S)-2-fluoro-10-oxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 89115142
2,2,3,3-tetrafluorocyclobutan-1-one
CID 91524020
3,3-difluoro-4-methylideneoxolane-2,5-dione
CID 175355116
3a,6a-dimethyl-5,6-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione
CID 58760782

Frequently Asked Questions

What is the IUPAC name of 1,2,6,7-tetrafluoro-4-oxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?
The IUPAC name of 1,2,6,7-tetrafluoro-4-oxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone (CID 122647230) is 1,2,6,7-tetrafluoro-4-oxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone.
What is the SMILES notation for 1,2,6,7-tetrafluoro-4-oxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?
The canonical SMILES for 1,2,6,7-tetrafluoro-4-oxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone is O=C1CC(=O)C2(F)C1(F)C1(F)C(=O)OC(=O)C21F.
What is the InChIKey of 1,2,6,7-tetrafluoro-4-oxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?
The InChIKey is WMTRJRQIXQMMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F4O5/c10-6-2(14)1-3(15)7(6,11)9(13)5(17)18-4(16)8(6,9)12/h1H2.
What are the key properties of 1,2,6,7-tetrafluoro-4-oxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?
1,2,6,7-tetrafluoro-4-oxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone has a molecular weight of 266.10 g/mol, XLogP of -0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6,7-tetrafluoro-4-oxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone is sourced from PubChem (CID 122647230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).