[5-[2-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-[1-[4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonyloxyphenyl]propyl]-4-methyl-2,5-dioxopyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate

C56H37F27N4O23S4 — CID 91503702

About [5-[2-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-[1-[4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonyloxyphenyl]propyl]-4-methyl-2,5-dioxopyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate

[5-[2-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-[1-[4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonyloxyphenyl]propyl]-4-methyl-2,5-dioxopyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate (PubChem CID 91503702) has the molecular formula C56H37F27N4O23S4 and a molecular weight of 1775.13 g/mol. Its IUPAC name is [5-[2-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-[1-[4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonyloxyphenyl]propyl]-4-methyl-2,5-dioxopyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate.

Molecular Properties

• Compound Name: [5-[2-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-[1-[4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonyloxyphenyl]propyl]-4-methyl-2,5-dioxopyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate
• PubChem CID: 91503702
• Molecular Formula: C56H37F27N4O23S4
• Molecular Weight: 1775.13 g/mol
• Exact Mass: 1774.03
• IUPAC Name: [5-[2-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-[1-[4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonyloxyphenyl]propyl]-4-methyl-2,5-dioxopyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate
• SMILES: CCC(c1ccc(OC(=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1)C1C(=O)N(OS(=O)(=O)C(F)(F)F)C(=O)C1C.CCC(c1ccccc1)C1C(=O)N(OS(=O)(=O)C(F)(F)F)C(=O)C1C.O=C1c2ccc(C(c3ccc4c(c3)C(=O)N(OS(=O)(=O)C(F)(F)F)C4=O)(C(F)(F)F)C(F)(F)F)cc2C(=O)N1OS(=O)(=O)C(F)(F)F
• InChI: InChI=1S/C21H6F12N2O10S2.C20H15F12NO8S.C15H16F3NO5S/c22-18(23,24)17(19(25,26)27,7-1-3-9-11(5-7)15(38)34(13(9)36)44-46(40,41)20(28,29)30)8-2-4-10-12(6-8)16(39)35(14(10)37)45-47(42,43)21(31,32)33;1-3-11(12-8(2)13(34)33(14(12)35)41-42(37,38)20(30,31)32)9-4-6-10(7-5-9)39-15(36)40-16(17(21,22)23,18(24,25)26)19(27,28)29;1-3-11(10-7-5-4-6-8-10)12-9(2)13(20)19(14(12)21)24-25(22,23)15(16,17)18/h1-6H;4-8,11-12H,3H2,1-2H3;4-9,11-12H,3H2,1-2H3
• InChIKey: GANVDVZTAHVINC-UHFFFAOYSA-N
• XLogP: 11.96
• TPSA: 358.53 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1775.13
LogP ≤ 5	11.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-[2-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-[1-[4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonyloxyphenyl]propyl]-4-methyl-2,5-dioxopyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate?

The IUPAC name of [5-[2-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-[1-[4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonyloxyphenyl]propyl]-4-methyl-2,5-dioxopyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate (CID 91503702) is [5-[2-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-[1-[4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonyloxyphenyl]propyl]-4-methyl-2,5-dioxopyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate.

What is the SMILES notation for [5-[2-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-[1-[4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonyloxyphenyl]propyl]-4-methyl-2,5-dioxopyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate?

The canonical SMILES for [5-[2-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-[1-[4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonyloxyphenyl]propyl]-4-methyl-2,5-dioxopyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate is CCC(c1ccc(OC(=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1)C1C(=O)N(OS(=O)(=O)C(F)(F)F)C(=O)C1C.CCC(c1ccccc1)C1C(=O)N(OS(=O)(=O)C(F)(F)F)C(=O)C1C.O=C1c2ccc(C(c3ccc4c(c3)C(=O)N(OS(=O)(=O)C(F)(F)F)C4=O)(C(F)(F)F)C(F)(F)F)cc2C(=O)N1OS(=O)(=O)C(F)(F)F.

What is the InChIKey of [5-[2-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-[1-[4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonyloxyphenyl]propyl]-4-methyl-2,5-dioxopyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate?

The InChIKey is GANVDVZTAHVINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H6F12N2O10S2.C20H15F12NO8S.C15H16F3NO5S/c22-18(23,24)17(19(25,26)27,7-1-3-9-11(5-7)15(38)34(13(9)36)44-46(40,41)20(28,29)30)8-2-4-10-12(6-8)16(39)35(14(10)37)45-47(42,43)21(31,32)33;1-3-11(12-8(2)13(34)33(14(12)35)41-42(37,38)20(30,31)32)9-4-6-10(7-5-9)39-15(36)40-16(17(21,22)23,18(24,25)26)19(27,28)29;1-3-11(10-7-5-4-6-8-10)12-9(2)13(20)19(14(12)21)24-25(22,23)15(16,17)18/h1-6H;4-8,11-12H,3H2,1-2H3;4-9,11-12H,3H2,1-2H3.

What are the key properties of [5-[2-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-[1-[4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonyloxyphenyl]propyl]-4-methyl-2,5-dioxopyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate?

[5-[2-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-[1-[4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonyloxyphenyl]propyl]-4-methyl-2,5-dioxopyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate has a molecular weight of 1775.13 g/mol, XLogP of 11.96, 18 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[2-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-[1-[4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonyloxyphenyl]propyl]-4-methyl-2,5-dioxopyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate is sourced from PubChem (CID 91503702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).