5-[1,1,1,3,3,3-hexafluoro-2-(1-methylidene-3-oxo-5,6-dihydroinden-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;methane;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis(trifluoromethyl)phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2-[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione

C120H71F21O22 — CID 157093895

About 5-[1,1,1,3,3,3-hexafluoro-2-(1-methylidene-3-oxo-5,6-dihydroinden-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;methane;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis(trifluoromethyl)phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2-[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione

5-[1,1,1,3,3,3-hexafluoro-2-(1-methylidene-3-oxo-5,6-dihydroinden-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;methane;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis(trifluoromethyl)phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2-[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione (PubChem CID 157093895) has the molecular formula C120H71F21O22 and a molecular weight of 2263.82 g/mol. Its IUPAC name is 5-[1,1,1,3,3,3-hexafluoro-2-(1-methylidene-3-oxo-5,6-dihydroinden-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;methane;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis(trifluoromethyl)phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2-[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione.

Molecular Properties

• Compound Name: 5-[1,1,1,3,3,3-hexafluoro-2-(1-methylidene-3-oxo-5,6-dihydroinden-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;methane;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis(trifluoromethyl)phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2-[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione
• PubChem CID: 157093895
• Molecular Formula: C120H71F21O22
• Molecular Weight: 2263.82 g/mol
• Exact Mass: 2262.41
• IUPAC Name: 5-[1,1,1,3,3,3-hexafluoro-2-(1-methylidene-3-oxo-5,6-dihydroinden-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;methane;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis(trifluoromethyl)phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2-[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione
• SMILES: C.C=C1CC(=O)C2=CC(C(c3ccc4c(c3)C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)CC=C12.C=C1CC(=O)c2c(Oc3cc(-c4cc(C)cc(C(F)(F)F)c4)cc(Oc4cccc5c4C(=O)OC5=O)c3-c3cc(C)cc(C(F)(F)F)c3)cccc21.C=C1CC(=O)c2c(Oc3cc(C(F)(F)F)cc(Oc4cccc5c4C(=O)OC5=O)c3C(F)(F)F)cccc21.C=C1CC(=O)c2c(Oc3cccc(Oc4cccc5c4C(=O)OC5=O)c3-c3cc(C)cc(C(F)(F)F)c3)cccc21
• InChI: InChI=1S/C40H24F6O6.C32H19F3O6.C26H12F6O6.C21H12F6O4.CH4/c1-19-10-22(15-25(12-19)39(41,42)43)23-17-32(50-30-8-4-6-27-21(3)14-29(47)35(27)30)34(24-11-20(2)13-26(16-24)40(44,45)46)33(18-23)51-31-9-5-7-28-36(31)38(49)52-37(28)48;1-16-12-18(15-19(13-16)32(33,34)35)27-23(39-25-8-3-6-20-17(2)14-22(36)28(20)25)10-5-11-24(27)40-26-9-4-7-21-29(26)31(38)41-30(21)37;1-11-8-15(33)20-13(11)4-2-6-16(20)36-18-9-12(25(27,28)29)10-19(22(18)26(30,31)32)37-17-7-3-5-14-21(17)24(35)38-23(14)34;1-9-6-16(28)14-7-10(2-4-12(9)14)19(20(22,23)24,21(25,26)27)11-3-5-13-15(8-11)18(30)31-17(13)29;/h4-13,15-18H,3,14H2,1-2H3;3-13,15H,2,14H2,1H3;2-7,9-10H,1,8H2;3-5,7-8,10H,1-2,6H2;1H4
• InChIKey: AEZCVYLOGGWLIJ-UHFFFAOYSA-N
• XLogP: 31.96
• TPSA: 297.14 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2263.82
LogP ≤ 5	31.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[1,1,1,3,3,3-hexafluoro-2-(1-methylidene-3-oxo-5,6-dihydroinden-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;methane;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis(trifluoromethyl)phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2-[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione?

The IUPAC name of 5-[1,1,1,3,3,3-hexafluoro-2-(1-methylidene-3-oxo-5,6-dihydroinden-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;methane;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis(trifluoromethyl)phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2-[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione (CID 157093895) is 5-[1,1,1,3,3,3-hexafluoro-2-(1-methylidene-3-oxo-5,6-dihydroinden-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;methane;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis(trifluoromethyl)phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2-[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione.

What is the SMILES notation for 5-[1,1,1,3,3,3-hexafluoro-2-(1-methylidene-3-oxo-5,6-dihydroinden-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;methane;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis(trifluoromethyl)phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2-[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione?

The canonical SMILES for 5-[1,1,1,3,3,3-hexafluoro-2-(1-methylidene-3-oxo-5,6-dihydroinden-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;methane;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis(trifluoromethyl)phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2-[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione is C.C=C1CC(=O)C2=CC(C(c3ccc4c(c3)C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)CC=C12.C=C1CC(=O)c2c(Oc3cc(-c4cc(C)cc(C(F)(F)F)c4)cc(Oc4cccc5c4C(=O)OC5=O)c3-c3cc(C)cc(C(F)(F)F)c3)cccc21.C=C1CC(=O)c2c(Oc3cc(C(F)(F)F)cc(Oc4cccc5c4C(=O)OC5=O)c3C(F)(F)F)cccc21.C=C1CC(=O)c2c(Oc3cccc(Oc4cccc5c4C(=O)OC5=O)c3-c3cc(C)cc(C(F)(F)F)c3)cccc21.

What is the InChIKey of 5-[1,1,1,3,3,3-hexafluoro-2-(1-methylidene-3-oxo-5,6-dihydroinden-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;methane;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis(trifluoromethyl)phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2-[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione?

The InChIKey is AEZCVYLOGGWLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24F6O6.C32H19F3O6.C26H12F6O6.C21H12F6O4.CH4/c1-19-10-22(15-25(12-19)39(41,42)43)23-17-32(50-30-8-4-6-27-21(3)14-29(47)35(27)30)34(24-11-20(2)13-26(16-24)40(44,45)46)33(18-23)51-31-9-5-7-28-36(31)38(49)52-37(28)48;1-16-12-18(15-19(13-16)32(33,34)35)27-23(39-25-8-3-6-20-17(2)14-22(36)28(20)25)10-5-11-24(27)40-26-9-4-7-21-29(26)31(38)41-30(21)37;1-11-8-15(33)20-13(11)4-2-6-16(20)36-18-9-12(25(27,28)29)10-19(22(18)26(30,31)32)37-17-7-3-5-14-21(17)24(35)38-23(14)34;1-9-6-16(28)14-7-10(2-4-12(9)14)19(20(22,23)24,21(25,26)27)11-3-5-13-15(8-11)18(30)31-17(13)29;/h4-13,15-18H,3,14H2,1-2H3;3-13,15H,2,14H2,1H3;2-7,9-10H,1,8H2;3-5,7-8,10H,1-2,6H2;1H4.

What are the key properties of 5-[1,1,1,3,3,3-hexafluoro-2-(1-methylidene-3-oxo-5,6-dihydroinden-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;methane;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis(trifluoromethyl)phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2-[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione?

5-[1,1,1,3,3,3-hexafluoro-2-(1-methylidene-3-oxo-5,6-dihydroinden-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;methane;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis(trifluoromethyl)phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2-[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione has a molecular weight of 2263.82 g/mol, XLogP of 31.96, 17 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1,1,1,3,3,3-hexafluoro-2-(1-methylidene-3-oxo-5,6-dihydroinden-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;methane;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis(trifluoromethyl)phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2-[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione is sourced from PubChem (CID 157093895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).