4-methyl-8-(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone

C12H3F3O6 — CID 23542594

IUPAC4-methyl-8-(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
SMILESCc1c2c(=O)oc(=O)c2c(C(F)(F)F)c2c(=O)oc(=O)c12
InChIInChI=1S/C12H3F3O6/c1-2-3-5(10(18)20-8(3)16)7(12(13,14)15)6-4(2)9(17)21-11(6)19/h1H3
InChIKeyVLOOBWHJZALYPP-UHFFFAOYSA-N
MW300.14 g/mol
LogP0.82
Rot. Bonds

About 4-methyl-8-(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone

4-methyl-8-(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone (PubChem CID 23542594) has the molecular formula C12H3F3O6 and a molecular weight of 300.14 g/mol. Its IUPAC name is 4-methyl-8-(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone.

Molecular Properties

Compound Name4-methyl-8-(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
PubChem CID23542594
Molecular FormulaC12H3F3O6
Molecular Weight300.14 g/mol
Exact Mass299.99
IUPAC Name4-methyl-8-(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
SMILESCc1c2c(=O)oc(=O)c2c(C(F)(F)F)c2c(=O)oc(=O)c12
InChIInChI=1S/C12H3F3O6/c1-2-3-5(10(18)20-8(3)16)7(12(13,14)15)6-4(2)9(17)21-11(6)19/h1H3
InChIKeyVLOOBWHJZALYPP-UHFFFAOYSA-N
XLogP0.82
TPSA94.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Pyromellitic dianhydride
CID 6966
Mellitic Trianhydride
CID 255291
1,2,4,5-Benzenetetracarboxylic dianhydride-d2
CID 16212985
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
4,5-Difluorofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone
CID 91143120
4,4-Hexafluoroisopropylphthalic anhydride
CID 153487775
5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, methyl ester
CID 76180
[3-oxo-4-[2-(trifluoromethyl)phenyl]-1H-2-benzofuran-5-yl]methyl acetate
CID 101369909
1,3-Dioxo-2-benzofuran-5-carbonyl fluoride
CID 164668409
Perfluoropolyethermethacrylate
CID 15606522

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The IUPAC name of 4-methyl-8-(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone (CID 23542594) is 4-methyl-8-(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone.
What is the SMILES notation for 4-methyl-8-(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The canonical SMILES for 4-methyl-8-(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone is Cc1c2c(=O)oc(=O)c2c(C(F)(F)F)c2c(=O)oc(=O)c12.
What is the InChIKey of 4-methyl-8-(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The InChIKey is VLOOBWHJZALYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3F3O6/c1-2-3-5(10(18)20-8(3)16)7(12(13,14)15)6-4(2)9(17)21-11(6)19/h1H3.
What are the key properties of 4-methyl-8-(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
4-methyl-8-(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone has a molecular weight of 300.14 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone is sourced from PubChem (CID 23542594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).