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

C24H3F9O11 — CID 56632267

IUPAC4,8-bis(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone;8-(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
SMILESO=C1CC(=O)c2c1c(C(F)(F)F)c1c(c2C(F)(F)F)C(=O)OC1=O.O=c1oc(=O)c2c(C(F)(F)F)c3c(=O)oc(=O)c3cc12
InChIInChI=1S/C13H2F6O5.C11HF3O6/c14-12(15,16)8-4-2(20)1-3(21)5(4)9(13(17,18)19)7-6(8)10(22)24-11(7)23;12-11(13,14)6-4-2(7(15)19-9(4)17)1-3-5(6)10(18)20-8(3)16/h1H2;1H
InChIKeyKCPHEVQZADUGDM-UHFFFAOYSA-N
MW638.26 g/mol
LogP3.32
Rot. Bonds

About 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

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 (PubChem CID 56632267) has the molecular formula C24H3F9O11 and a molecular weight of 638.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,8-bis(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone;8-(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
PubChem CID56632267
Molecular FormulaC24H3F9O11
Molecular Weight638.26 g/mol
Exact Mass637.95
IUPAC Name4,8-bis(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone;8-(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
SMILESO=C1CC(=O)c2c1c(C(F)(F)F)c1c(c2C(F)(F)F)C(=O)OC1=O.O=c1oc(=O)c2c(C(F)(F)F)c3c(=O)oc(=O)c3cc12
InChIInChI=1S/C13H2F6O5.C11HF3O6/c14-12(15,16)8-4-2(20)1-3(21)5(4)9(13(17,18)19)7-6(8)10(22)24-11(7)23;12-11(13,14)6-4-2(7(15)19-9(4)17)1-3-5(6)10(18)20-8(3)16/h1H2;1H
InChIKeyKCPHEVQZADUGDM-UHFFFAOYSA-N
XLogP3.32
TPSA172.07 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4'-Carbonyldiphthalic anhydride
CID 75498
5,5'-(~13~C)Carbonyldi(2-benzofuran-1,3-dione)
CID 71308882
4,4'-(Hexafluoropropylidene)diphthalic anhydride
CID 54325816
4,8-Bis[3,5-bis(trifluoromethyl)phenyl]-1H,3H-benzo[1,2-c:4,5-c']difuran-1,3,5,7-tetrone
CID 11479244
5-[2-(1,3-Dioxoinden-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione
CID 20578095
5-[1-(1,3-Dioxo-2-benzofuran-5-yl)-1,2,2,2-tetrafluoroethyl]-2-benzofuran-1,3-dione
CID 22088873
5-[(1,3-Dioxo-2-benzofuran-5-yl)-difluoromethyl]-2-benzofuran-1,3-dione
CID 22974093
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-Methyl-8-(trifluoromethyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone
CID 54529668
5-[1-Methylidene-3-oxo-6-(trifluoromethyl)-2-benzofuran-5-yl]-6-(trifluoromethyl)-2-benzofuran-1,3-dione
CID 54571424

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1CC(=O)c2c1c(C(F)(F)F)c1c(c2C(F)(F)F)C(=O)OC1=O.O=c1oc(=O)c2c(C(F)(F)F)c3c(=O)oc(=O)c3cc12.
What is the InChIKey of 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?
The InChIKey is KCPHEVQZADUGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H2F6O5.C11HF3O6/c14-12(15,16)8-4-2(20)1-3(21)5(4)9(13(17,18)19)7-6(8)10(22)24-11(7)23;12-11(13,14)6-4-2(7(15)19-9(4)17)1-3-5(6)10(18)20-8(3)16/h1H2;1H.
What are the key properties of 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?
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 has a molecular weight of 638.26 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 56632267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).