4,8-bis[3-methyl-5-(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;4,8-bis(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;5-[1-(1,3-dioxo-2-benzofuran-5-yl)-2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-benzofuran-1,3-dione;5-(6-methyl-1,3-dioxoinden-5-yl)-6-(trifluoromethyl)-2-benzofuran-1,3-dione

C81H27F23O23 — CID 158793418

About 4,8-bis[3-methyl-5-(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;4,8-bis(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;5-[1-(1,3-dioxo-2-benzofuran-5-yl)-2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-benzofuran-1,3-dione;5-(6-methyl-1,3-dioxoinden-5-yl)-6-(trifluoromethyl)-2-benzofuran-1,3-dione

4,8-bis[3-methyl-5-(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;4,8-bis(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;5-[1-(1,3-dioxo-2-benzofuran-5-yl)-2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-benzofuran-1,3-dione;5-(6-methyl-1,3-dioxoinden-5-yl)-6-(trifluoromethyl)-2-benzofuran-1,3-dione (PubChem CID 158793418) has the molecular formula C81H27F23O23 and a molecular weight of 1805.04 g/mol. Its IUPAC name is 4,8-bis[3-methyl-5-(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;4,8-bis(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;5-[1-(1,3-dioxo-2-benzofuran-5-yl)-2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-benzofuran-1,3-dione;5-(6-methyl-1,3-dioxoinden-5-yl)-6-(trifluoromethyl)-2-benzofuran-1,3-dione.

Molecular Properties

• Compound Name: 4,8-bis[3-methyl-5-(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;4,8-bis(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;5-[1-(1,3-dioxo-2-benzofuran-5-yl)-2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-benzofuran-1,3-dione;5-(6-methyl-1,3-dioxoinden-5-yl)-6-(trifluoromethyl)-2-benzofuran-1,3-dione
• PubChem CID: 158793418
• Molecular Formula: C81H27F23O23
• Molecular Weight: 1805.04 g/mol
• Exact Mass: 1804.06
• IUPAC Name: 4,8-bis[3-methyl-5-(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;4,8-bis(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;5-[1-(1,3-dioxo-2-benzofuran-5-yl)-2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-benzofuran-1,3-dione;5-(6-methyl-1,3-dioxoinden-5-yl)-6-(trifluoromethyl)-2-benzofuran-1,3-dione
• SMILES: Cc1cc(-c2c3c(=O)oc(=O)c3c(-c3cc(C)cc(C(F)(F)F)c3)c3c(=O)oc(=O)c23)cc(C(F)(F)F)c1.Cc1cc2c(cc1-c1cc3c(cc1C(F)(F)F)C(=O)OC3=O)C(=O)CC2=O.O=C1OC(=O)c2cc(C(c3ccc4c(c3)C(=O)OC4=O)(c3c(F)c(F)c(F)c(F)c3F)C(F)(F)F)ccc21.O=c1oc(=O)c2c(C(F)(F)F)c3c(=O)oc(=O)c3c(C(F)(F)F)c12
• InChI: InChI=1S/C26H12F6O6.C24H6F8O6.C19H9F3O5.C12F6O6/c1-9-3-11(7-13(5-9)25(27,28)29)15-17-19(23(35)37-21(17)33)16(20-18(15)22(34)38-24(20)36)12-4-10(2)6-14(8-12)26(30,31)32;25-14-13(15(26)17(28)18(29)16(14)27)23(24(30,31)32,7-1-3-9-11(5-7)21(35)37-19(9)33)8-2-4-10-12(6-8)22(36)38-20(10)34;1-7-2-10-11(16(24)6-15(10)23)3-8(7)9-4-12-13(18(26)27-17(12)25)5-14(9)19(20,21)22;13-11(14,15)5-1-2(8(20)23-7(1)19)6(12(16,17)18)4-3(5)9(21)24-10(4)22/h3-8H,1-2H3;1-6H;2-5H,6H2,1H3
• InChIKey: ISOIYUGYHXJBOP-UHFFFAOYSA-N
• XLogP: 15.68
• TPSA: 353.37 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 6
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1805.04
LogP ≤ 5	15.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,8-bis[3-methyl-5-(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;4,8-bis(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;5-[1-(1,3-dioxo-2-benzofuran-5-yl)-2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-benzofuran-1,3-dione;5-(6-methyl-1,3-dioxoinden-5-yl)-6-(trifluoromethyl)-2-benzofuran-1,3-dione?

The IUPAC name of 4,8-bis[3-methyl-5-(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;4,8-bis(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;5-[1-(1,3-dioxo-2-benzofuran-5-yl)-2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-benzofuran-1,3-dione;5-(6-methyl-1,3-dioxoinden-5-yl)-6-(trifluoromethyl)-2-benzofuran-1,3-dione (CID 158793418) is 4,8-bis[3-methyl-5-(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;4,8-bis(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;5-[1-(1,3-dioxo-2-benzofuran-5-yl)-2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-benzofuran-1,3-dione;5-(6-methyl-1,3-dioxoinden-5-yl)-6-(trifluoromethyl)-2-benzofuran-1,3-dione.

What is the SMILES notation for 4,8-bis[3-methyl-5-(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;4,8-bis(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;5-[1-(1,3-dioxo-2-benzofuran-5-yl)-2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-benzofuran-1,3-dione;5-(6-methyl-1,3-dioxoinden-5-yl)-6-(trifluoromethyl)-2-benzofuran-1,3-dione?

The canonical SMILES for 4,8-bis[3-methyl-5-(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;4,8-bis(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;5-[1-(1,3-dioxo-2-benzofuran-5-yl)-2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-benzofuran-1,3-dione;5-(6-methyl-1,3-dioxoinden-5-yl)-6-(trifluoromethyl)-2-benzofuran-1,3-dione is Cc1cc(-c2c3c(=O)oc(=O)c3c(-c3cc(C)cc(C(F)(F)F)c3)c3c(=O)oc(=O)c23)cc(C(F)(F)F)c1.Cc1cc2c(cc1-c1cc3c(cc1C(F)(F)F)C(=O)OC3=O)C(=O)CC2=O.O=C1OC(=O)c2cc(C(c3ccc4c(c3)C(=O)OC4=O)(c3c(F)c(F)c(F)c(F)c3F)C(F)(F)F)ccc21.O=c1oc(=O)c2c(C(F)(F)F)c3c(=O)oc(=O)c3c(C(F)(F)F)c12.

What is the InChIKey of 4,8-bis[3-methyl-5-(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;4,8-bis(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;5-[1-(1,3-dioxo-2-benzofuran-5-yl)-2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-benzofuran-1,3-dione;5-(6-methyl-1,3-dioxoinden-5-yl)-6-(trifluoromethyl)-2-benzofuran-1,3-dione?

The InChIKey is ISOIYUGYHXJBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12F6O6.C24H6F8O6.C19H9F3O5.C12F6O6/c1-9-3-11(7-13(5-9)25(27,28)29)15-17-19(23(35)37-21(17)33)16(20-18(15)22(34)38-24(20)36)12-4-10(2)6-14(8-12)26(30,31)32;25-14-13(15(26)17(28)18(29)16(14)27)23(24(30,31)32,7-1-3-9-11(5-7)21(35)37-19(9)33)8-2-4-10-12(6-8)22(36)38-20(10)34;1-7-2-10-11(16(24)6-15(10)23)3-8(7)9-4-12-13(18(26)27-17(12)25)5-14(9)19(20,21)22;13-11(14,15)5-1-2(8(20)23-7(1)19)6(12(16,17)18)4-3(5)9(21)24-10(4)22/h3-8H,1-2H3;1-6H;2-5H,6H2,1H3;.

What are the key properties of 4,8-bis[3-methyl-5-(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;4,8-bis(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;5-[1-(1,3-dioxo-2-benzofuran-5-yl)-2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-benzofuran-1,3-dione;5-(6-methyl-1,3-dioxoinden-5-yl)-6-(trifluoromethyl)-2-benzofuran-1,3-dione?

4,8-bis[3-methyl-5-(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;4,8-bis(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;5-[1-(1,3-dioxo-2-benzofuran-5-yl)-2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-benzofuran-1,3-dione;5-(6-methyl-1,3-dioxoinden-5-yl)-6-(trifluoromethyl)-2-benzofuran-1,3-dione has a molecular weight of 1805.04 g/mol, XLogP of 15.68, 6 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4,8-bis[3-methyl-5-(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;4,8-bis(trifluoromethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;5-[1-(1,3-dioxo-2-benzofuran-5-yl)-2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-benzofuran-1,3-dione;5-(6-methyl-1,3-dioxoinden-5-yl)-6-(trifluoromethyl)-2-benzofuran-1,3-dione is sourced from PubChem (CID 158793418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).