5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-difluoromethyl]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2E,4E)-6-(2,4-dioxocyclopentyl)hexa-2,4-dienyl]oxolane-2,5-dione;5-(2,5-dioxooxolan-3-yl)-4-methyl-2-benzofuran-1,3-dione;molecular fluorine

C122H70F8O40 — CID 157486129

About 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-difluoromethyl]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2E,4E)-6-(2,4-dioxocyclopentyl)hexa-2,4-dienyl]oxolane-2,5-dione;5-(2,5-dioxooxolan-3-yl)-4-methyl-2-benzofuran-1,3-dione;molecular fluorine

5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-difluoromethyl]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2E,4E)-6-(2,4-dioxocyclopentyl)hexa-2,4-dienyl]oxolane-2,5-dione;5-(2,5-dioxooxolan-3-yl)-4-methyl-2-benzofuran-1,3-dione;molecular fluorine (PubChem CID 157486129) has the molecular formula C122H70F8O40 and a molecular weight of 2327.85 g/mol. Its IUPAC name is 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-difluoromethyl]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2E,4E)-6-(2,4-dioxocyclopentyl)hexa-2,4-dienyl]oxolane-2,5-dione;5-(2,5-dioxooxolan-3-yl)-4-methyl-2-benzofuran-1,3-dione;molecular fluorine.

Molecular Properties

• Compound Name: 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-difluoromethyl]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2E,4E)-6-(2,4-dioxocyclopentyl)hexa-2,4-dienyl]oxolane-2,5-dione;5-(2,5-dioxooxolan-3-yl)-4-methyl-2-benzofuran-1,3-dione;molecular fluorine
• PubChem CID: 157486129
• Molecular Formula: C122H70F8O40
• Molecular Weight: 2327.85 g/mol
• Exact Mass: 2326.33
• IUPAC Name: 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-difluoromethyl]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2E,4E)-6-(2,4-dioxocyclopentyl)hexa-2,4-dienyl]oxolane-2,5-dione;5-(2,5-dioxooxolan-3-yl)-4-methyl-2-benzofuran-1,3-dione;molecular fluorine
• SMILES: CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1.Cc1c(C2CC(=O)OC2=O)ccc2c1C(=O)OC2=O.FF.FF.O=C(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O.O=C1CC(=O)C(C/C=C/C=C/CC2CC(=O)OC2=O)C1.O=C1OC(=O)c2cc(C(F)(F)c3ccc4c(c3)C(=O)OC4=O)ccc21.O=C1OC(=O)c2cc(Oc3ccc(C(F)(F)c4ccc(Oc5ccc6c(c5)C(=O)OC6=O)cc4)cc3)ccc21
• InChI: InChI=1S/C31H20O8.C29H14F2O8.C17H6F2O6.C17H6O7.C15H16O5.C13H8O6.2F2/c1-31(2,17-3-7-19(8-4-17)36-21-11-13-23-25(15-21)29(34)38-27(23)32)18-5-9-20(10-6-18)37-22-12-14-24-26(16-22)30(35)39-28(24)33;30-29(31,15-1-5-17(6-2-15)36-19-9-11-21-23(13-19)27(34)38-25(21)32)16-3-7-18(8-4-16)37-20-10-12-22-24(14-20)28(35)39-26(22)33;18-17(19,7-1-3-9-11(5-7)15(22)24-13(9)20)8-2-4-10-12(6-8)16(23)25-14(10)21;18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20;16-12-7-10(13(17)9-12)5-3-1-2-4-6-11-8-14(18)20-15(11)19;1-5-6(8-4-9(14)18-12(8)16)2-3-7-10(5)13(17)19-11(7)15;2*1-2/h3-16H,1-2H3;1-14H;1-6H;1-6H;1-4,10-11H,5-9H2;2-3,8H,4H2,1H3;;/b;;;;3-1+,4-2+
• InChIKey: BWSRPPPCWICZJZ-CNJSOOQZSA-N
• XLogP: 20.30
• TPSA: 565.20 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 22
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2327.85
LogP ≤ 5	20.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-difluoromethyl]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2E,4E)-6-(2,4-dioxocyclopentyl)hexa-2,4-dienyl]oxolane-2,5-dione;5-(2,5-dioxooxolan-3-yl)-4-methyl-2-benzofuran-1,3-dione;molecular fluorine?

The IUPAC name of 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-difluoromethyl]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2E,4E)-6-(2,4-dioxocyclopentyl)hexa-2,4-dienyl]oxolane-2,5-dione;5-(2,5-dioxooxolan-3-yl)-4-methyl-2-benzofuran-1,3-dione;molecular fluorine (CID 157486129) is 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-difluoromethyl]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2E,4E)-6-(2,4-dioxocyclopentyl)hexa-2,4-dienyl]oxolane-2,5-dione;5-(2,5-dioxooxolan-3-yl)-4-methyl-2-benzofuran-1,3-dione;molecular fluorine.

What is the SMILES notation for 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-difluoromethyl]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2E,4E)-6-(2,4-dioxocyclopentyl)hexa-2,4-dienyl]oxolane-2,5-dione;5-(2,5-dioxooxolan-3-yl)-4-methyl-2-benzofuran-1,3-dione;molecular fluorine?

The canonical SMILES for 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-difluoromethyl]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2E,4E)-6-(2,4-dioxocyclopentyl)hexa-2,4-dienyl]oxolane-2,5-dione;5-(2,5-dioxooxolan-3-yl)-4-methyl-2-benzofuran-1,3-dione;molecular fluorine is CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1.Cc1c(C2CC(=O)OC2=O)ccc2c1C(=O)OC2=O.FF.FF.O=C(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O.O=C1CC(=O)C(C/C=C/C=C/CC2CC(=O)OC2=O)C1.O=C1OC(=O)c2cc(C(F)(F)c3ccc4c(c3)C(=O)OC4=O)ccc21.O=C1OC(=O)c2cc(Oc3ccc(C(F)(F)c4ccc(Oc5ccc6c(c5)C(=O)OC6=O)cc4)cc3)ccc21.

What is the InChIKey of 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-difluoromethyl]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2E,4E)-6-(2,4-dioxocyclopentyl)hexa-2,4-dienyl]oxolane-2,5-dione;5-(2,5-dioxooxolan-3-yl)-4-methyl-2-benzofuran-1,3-dione;molecular fluorine?

The InChIKey is BWSRPPPCWICZJZ-CNJSOOQZSA-N. The full InChI is InChI=1S/C31H20O8.C29H14F2O8.C17H6F2O6.C17H6O7.C15H16O5.C13H8O6.2F2/c1-31(2,17-3-7-19(8-4-17)36-21-11-13-23-25(15-21)29(34)38-27(23)32)18-5-9-20(10-6-18)37-22-12-14-24-26(16-22)30(35)39-28(24)33;30-29(31,15-1-5-17(6-2-15)36-19-9-11-21-23(13-19)27(34)38-25(21)32)16-3-7-18(8-4-16)37-20-10-12-22-24(14-20)28(35)39-26(22)33;18-17(19,7-1-3-9-11(5-7)15(22)24-13(9)20)8-2-4-10-12(6-8)16(23)25-14(10)21;18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20;16-12-7-10(13(17)9-12)5-3-1-2-4-6-11-8-14(18)20-15(11)19;1-5-6(8-4-9(14)18-12(8)16)2-3-7-10(5)13(17)19-11(7)15;2*1-2/h3-16H,1-2H3;1-14H;1-6H;1-6H;1-4,10-11H,5-9H2;2-3,8H,4H2,1H3;;/b;;;;3-1+,4-2+;;;.

What are the key properties of 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-difluoromethyl]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2E,4E)-6-(2,4-dioxocyclopentyl)hexa-2,4-dienyl]oxolane-2,5-dione;5-(2,5-dioxooxolan-3-yl)-4-methyl-2-benzofuran-1,3-dione;molecular fluorine?

5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-difluoromethyl]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2E,4E)-6-(2,4-dioxocyclopentyl)hexa-2,4-dienyl]oxolane-2,5-dione;5-(2,5-dioxooxolan-3-yl)-4-methyl-2-benzofuran-1,3-dione;molecular fluorine has a molecular weight of 2327.85 g/mol, XLogP of 20.30, 22 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-difluoromethyl]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2E,4E)-6-(2,4-dioxocyclopentyl)hexa-2,4-dienyl]oxolane-2,5-dione;5-(2,5-dioxooxolan-3-yl)-4-methyl-2-benzofuran-1,3-dione;molecular fluorine is sourced from PubChem (CID 157486129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).