[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;[5-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-4-[1-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propyl]-2,5-dioxopyrrolidin-1-yl] trifluoromethanesulfonate

C74H52F24N6O34S6 — CID 90718473

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;[5-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-4-[1-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propyl]-2,5-dioxopyrrolidin-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;[5-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-4-[1-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propyl]-2,5-dioxopyrrolidin-1-yl] trifluoromethanesulfonate (PubChem CID 90718473) has the molecular formula C74H52F24N6O34S6 and a molecular weight of 2217.59 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;[5-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-4-[1-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propyl]-2,5-dioxopyrrolidin-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;[5-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-4-[1-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propyl]-2,5-dioxopyrrolidin-1-yl] trifluoromethanesulfonate
• PubChem CID: 90718473
• Molecular Formula: C74H52F24N6O34S6
• Molecular Weight: 2217.59 g/mol
• Exact Mass: 2216.05
• 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;[5-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-4-[1-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propyl]-2,5-dioxopyrrolidin-1-yl] trifluoromethanesulfonate
• SMILES: CCC(c1ccc(OC(=O)OC(C)(C)C)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.O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(OS(=O)(=O)C(F)(F)F)C4=O)cc2C(=O)N1OS(=O)(=O)C(F)(F)F
• InChI: InChI=1S/C21H6F12N2O10S2.C20H24F3NO8S.C18H6F6N2O11S2.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;1-6-14(12-7-9-13(10-8-12)30-18(27)31-19(3,4)5)15-11(2)16(25)24(17(15)26)32-33(28,29)20(21,22)23;19-17(20,21)38(31,32)36-25-13(27)9-3-1-7(5-11(9)15(25)29)35-8-2-4-10-12(6-8)16(30)26(14(10)28)37-39(33,34)18(22,23)24;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;7-11,14-15H,6H2,1-5H3;1-6H;4-9,11-12H,3H2,1-2H3
• InChIKey: NTHGFNMCDXOAMO-UHFFFAOYSA-N
• XLogP: 12.56
• TPSA: 529.26 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 23
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2217.59
LogP ≤ 5	12.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

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;[5-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-4-[1-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propyl]-2,5-dioxopyrrolidin-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;[5-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-4-[1-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propyl]-2,5-dioxopyrrolidin-1-yl] trifluoromethanesulfonate (CID 90718473) 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;[5-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-4-[1-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propyl]-2,5-dioxopyrrolidin-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;[5-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-4-[1-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propyl]-2,5-dioxopyrrolidin-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;[5-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-4-[1-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propyl]-2,5-dioxopyrrolidin-1-yl] trifluoromethanesulfonate is CCC(c1ccc(OC(=O)OC(C)(C)C)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.O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(OS(=O)(=O)C(F)(F)F)C4=O)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;[5-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-4-[1-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propyl]-2,5-dioxopyrrolidin-1-yl] trifluoromethanesulfonate?

The InChIKey is NTHGFNMCDXOAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H6F12N2O10S2.C20H24F3NO8S.C18H6F6N2O11S2.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;1-6-14(12-7-9-13(10-8-12)30-18(27)31-19(3,4)5)15-11(2)16(25)24(17(15)26)32-33(28,29)20(21,22)23;19-17(20,21)38(31,32)36-25-13(27)9-3-1-7(5-11(9)15(25)29)35-8-2-4-10-12(6-8)16(30)26(14(10)28)37-39(33,34)18(22,23)24;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;7-11,14-15H,6H2,1-5H3;1-6H;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;[5-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-4-[1-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propyl]-2,5-dioxopyrrolidin-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;[5-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-4-[1-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propyl]-2,5-dioxopyrrolidin-1-yl] trifluoromethanesulfonate has a molecular weight of 2217.59 g/mol, XLogP of 12.56, 23 rotatable bonds, 0 hydrogen bond donors, and 34 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;[5-[1,3-dioxo-2-(trifluoromethylsulfonyloxy)isoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl] trifluoromethanesulfonate;[3-methyl-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl] trifluoromethanesulfonate;[3-methyl-4-[1-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propyl]-2,5-dioxopyrrolidin-1-yl] trifluoromethanesulfonate is sourced from PubChem (CID 90718473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).