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

C13H5F3O5 — CID 54529668

IUPAC4-methyl-8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone
SMILESCc1c2c(c(C(F)(F)F)c3c1C(=O)OC3=O)C(=O)CC2=O
InChIInChI=1S/C13H5F3O5/c1-3-6-4(17)2-5(18)8(6)10(13(14,15)16)9-7(3)11(19)21-12(9)20/h2H2,1H3
InChIKeyYVPLPHFPSFREGH-UHFFFAOYSA-N
MW298.17 g/mol
LogP2.09
Rot. Bonds

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

4-methyl-8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone (PubChem CID 54529668) has the molecular formula C13H5F3O5 and a molecular weight of 298.17 g/mol. Its IUPAC name is 4-methyl-8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone.

Molecular Properties

Compound Name4-methyl-8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone
PubChem CID54529668
Molecular FormulaC13H5F3O5
Molecular Weight298.17 g/mol
Exact Mass298.01
IUPAC Name4-methyl-8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone
SMILESCc1c2c(c(C(F)(F)F)c3c1C(=O)OC3=O)C(=O)CC2=O
InChIInChI=1S/C13H5F3O5/c1-3-6-4(17)2-5(18)8(6)10(13(14,15)16)9-7(3)11(19)21-12(9)20/h2H2,1H3
InChIKeyYVPLPHFPSFREGH-UHFFFAOYSA-N
XLogP2.09
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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
4,8-Bis(2,2,2-trifluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
CID 14794191
4-Methyl-8-(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
CID 23542594
4,8-Bis(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone
CID 53667481
5-[2-(1,3-Dioxoinden-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione
CID 53902483
8-(Trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone
CID 54280985
4-(Trifluoromethyl)-1H-benzo[1,2-c:4,5-c']difuran-1,3,5,7-tetraone
CID 56613473
4,8-Bis(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone;8-(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
CID 56632267
4,8-Bis(1,1,2,2,3,3,3-heptafluoropropyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
CID 56633487
8-(1,1,2,2,2-Pentafluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
CID 56638358

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone?
The IUPAC name of 4-methyl-8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone (CID 54529668) is 4-methyl-8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone.
What is the SMILES notation for 4-methyl-8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone?
The canonical SMILES for 4-methyl-8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone is Cc1c2c(c(C(F)(F)F)c3c1C(=O)OC3=O)C(=O)CC2=O.
What is the InChIKey of 4-methyl-8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone?
The InChIKey is YVPLPHFPSFREGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5F3O5/c1-3-6-4(17)2-5(18)8(6)10(13(14,15)16)9-7(3)11(19)21-12(9)20/h2H2,1H3.
What are the key properties of 4-methyl-8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone?
4-methyl-8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone has a molecular weight of 298.17 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone is sourced from PubChem (CID 54529668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).