4,5-difluorofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone

C10F2O6 — CID 91143120

IUPAC4,5-difluorofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone
SMILESO=c1oc(=O)c2c1c(F)c(F)c1c(=O)oc(=O)c12
InChIInChI=1S/C10F2O6/c11-5-3-1(7(13)17-9(3)15)2-4(6(5)12)10(16)18-8(2)14
InChIKeyUZCGSPCEJDVUGL-UHFFFAOYSA-N
MW254.10 g/mol
LogP-0.23
Rot. Bonds

About 4,5-difluorofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone

4,5-difluorofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone (PubChem CID 91143120) has the molecular formula C10F2O6 and a molecular weight of 254.10 g/mol. Its IUPAC name is 4,5-difluorofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone.

Molecular Properties

Compound Name4,5-difluorofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone
PubChem CID91143120
Molecular FormulaC10F2O6
Molecular Weight254.10 g/mol
Exact Mass253.97
IUPAC Name4,5-difluorofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone
SMILESO=c1oc(=O)c2c1c(F)c(F)c1c(=O)oc(=O)c12
InChIInChI=1S/C10F2O6/c11-5-3-1(7(13)17-9(3)15)2-4(6(5)12)10(16)18-8(2)14
InChIKeyUZCGSPCEJDVUGL-UHFFFAOYSA-N
XLogP-0.23
TPSA94.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.10
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,5-difluorofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone with MolForge

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Related Compounds

Pyromellitic dianhydride
CID 6966
Tetrafluorophthalic anhydride
CID 69545
Mellitic Trianhydride
CID 255291
1,2,4,5-Benzenetetracarboxylic dianhydride-d2
CID 16212985
3,4,5,6,7-Pentafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-benzofuran-1(3H)-one
CID 138396418
Mellitic dianhydride
CID 190983
4,8-Difluorofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone
CID 15457419
4,8-Bis(trifluoromethyl)-1H,5H-benzo[1,2-c:4,5-c']difuran-1,3,5,7-tetrone
CID 21888696
1,3-Dioxo-2-benzofuran-5-carbonyl fluoride
CID 164668409
Perfluoropolyethermethacrylate
CID 15606522
4,8-Bis(2,2,2-trifluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
CID 14794191
4-Methyl-1H,3H-benzo(1,2-c:4,5-c')difuran-1,3,5,7-tetrone
CID 15861434

Frequently Asked Questions

What is the IUPAC name of 4,5-difluorofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone?
The IUPAC name of 4,5-difluorofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone (CID 91143120) is 4,5-difluorofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone.
What is the SMILES notation for 4,5-difluorofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone?
The canonical SMILES for 4,5-difluorofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone is O=c1oc(=O)c2c1c(F)c(F)c1c(=O)oc(=O)c12.
What is the InChIKey of 4,5-difluorofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone?
The InChIKey is UZCGSPCEJDVUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F2O6/c11-5-3-1(7(13)17-9(3)15)2-4(6(5)12)10(16)18-8(2)14.
What are the key properties of 4,5-difluorofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone?
4,5-difluorofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone has a molecular weight of 254.10 g/mol, XLogP of -0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluorofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone is sourced from PubChem (CID 91143120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).