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

C12H3F3O5 — CID 54280985

IUPAC8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone
SMILESO=C1CC(=O)c2c1cc1c(c2C(F)(F)F)C(=O)OC1=O
InChIInChI=1S/C12H3F3O5/c13-12(14,15)9-7-3(5(16)2-6(7)17)1-4-8(9)11(19)20-10(4)18/h1H,2H2
InChIKeyKLPKYDGKYOWJTP-UHFFFAOYSA-N
MW284.14 g/mol
LogP1.79
Rot. Bonds

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

8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone (PubChem CID 54280985) has the molecular formula C12H3F3O5 and a molecular weight of 284.14 g/mol. Its IUPAC name is 8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone.

Molecular Properties

Compound Name8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone
PubChem CID54280985
Molecular FormulaC12H3F3O5
Molecular Weight284.14 g/mol
Exact Mass283.99
IUPAC Name8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone
SMILESO=C1CC(=O)c2c1cc1c(c2C(F)(F)F)C(=O)OC1=O
InChIInChI=1S/C12H3F3O5/c13-12(14,15)9-7-3(5(16)2-6(7)17)1-4-8(9)11(19)20-10(4)18/h1H,2H2
InChIKeyKLPKYDGKYOWJTP-UHFFFAOYSA-N
XLogP1.79
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 51.79
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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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone?
The IUPAC name of 8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone (CID 54280985) is 8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone.
What is the SMILES notation for 8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone?
The canonical SMILES for 8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone is O=C1CC(=O)c2c1cc1c(c2C(F)(F)F)C(=O)OC1=O.
What is the InChIKey of 8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone?
The InChIKey is KLPKYDGKYOWJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3F3O5/c13-12(14,15)9-7-3(5(16)2-6(7)17)1-4-8(9)11(19)20-10(4)18/h1H,2H2.
What are the key properties of 8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone?
8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone has a molecular weight of 284.14 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone is sourced from PubChem (CID 54280985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).