5-(2-butyl-1,3-dioxoisoindol-5-yl)-2-methylisoindole-1,3-dione;5-[2-(2-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-butyl-6-methyl-4,8-bis(trifluoromethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione

C95H71F15N8O17 — CID 158769460

About 5-(2-butyl-1,3-dioxoisoindol-5-yl)-2-methylisoindole-1,3-dione;5-[2-(2-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-butyl-6-methyl-4,8-bis(trifluoromethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione

5-(2-butyl-1,3-dioxoisoindol-5-yl)-2-methylisoindole-1,3-dione;5-[2-(2-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-butyl-6-methyl-4,8-bis(trifluoromethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione (PubChem CID 158769460) has the molecular formula C95H71F15N8O17 and a molecular weight of 1881.62 g/mol. Its IUPAC name is 5-(2-butyl-1,3-dioxoisoindol-5-yl)-2-methylisoindole-1,3-dione;5-[2-(2-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-butyl-6-methyl-4,8-bis(trifluoromethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-(2-butyl-1,3-dioxoisoindol-5-yl)-2-methylisoindole-1,3-dione;5-[2-(2-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-butyl-6-methyl-4,8-bis(trifluoromethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
• PubChem CID: 158769460
• Molecular Formula: C95H71F15N8O17
• Molecular Weight: 1881.62 g/mol
• Exact Mass: 1880.47
• IUPAC Name: 5-(2-butyl-1,3-dioxoisoindol-5-yl)-2-methylisoindole-1,3-dione;5-[2-(2-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-butyl-6-methyl-4,8-bis(trifluoromethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
• SMILES: CCCCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.CCCCN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.CCCCn1c(=O)c2c(C(F)(F)F)c3c(=O)n(C)c(=O)c3c(C(F)(F)F)c2c1=O.Cc1ccc(Oc2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(C)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2)cc1
• InChI: InChI=1S/C33H20F6N2O5.C24H21F3N2O4.C21H18N2O4.C17H12F6N2O4/c1-17-3-9-21(10-4-17)46-22-11-7-20(8-12-22)41-29(44)24-14-6-19(16-26(24)30(41)45)31(32(34,35)36,33(37,38)39)18-5-13-23-25(15-18)28(43)40(2)27(23)42;1-4-5-10-29-21(32)16-9-7-14(12-18(16)22(29)33)23(2,24(25,26)27)13-6-8-15-17(11-13)20(31)28(3)19(15)30;1-3-4-9-23-20(26)15-8-6-13(11-17(15)21(23)27)12-5-7-14-16(10-12)19(25)22(2)18(14)24;1-3-4-5-25-14(28)8-9(15(25)29)11(17(21,22)23)7-6(10(8)16(18,19)20)12(26)24(2)13(7)27/h3-16H,1-2H3;6-9,11-12H,4-5,10H2,1-3H3;5-8,10-11H,3-4,9H2,1-2H3;3-5H2,1-2H3
• InChIKey: IPRJUCBXICFKOV-UHFFFAOYSA-N
• XLogP: 16.66
• TPSA: 311.65 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1881.62
LogP ≤ 5	16.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2-butyl-1,3-dioxoisoindol-5-yl)-2-methylisoindole-1,3-dione;5-[2-(2-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-butyl-6-methyl-4,8-bis(trifluoromethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione?

The IUPAC name of 5-(2-butyl-1,3-dioxoisoindol-5-yl)-2-methylisoindole-1,3-dione;5-[2-(2-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-butyl-6-methyl-4,8-bis(trifluoromethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione (CID 158769460) is 5-(2-butyl-1,3-dioxoisoindol-5-yl)-2-methylisoindole-1,3-dione;5-[2-(2-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-butyl-6-methyl-4,8-bis(trifluoromethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione.

What is the SMILES notation for 5-(2-butyl-1,3-dioxoisoindol-5-yl)-2-methylisoindole-1,3-dione;5-[2-(2-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-butyl-6-methyl-4,8-bis(trifluoromethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione?

The canonical SMILES for 5-(2-butyl-1,3-dioxoisoindol-5-yl)-2-methylisoindole-1,3-dione;5-[2-(2-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-butyl-6-methyl-4,8-bis(trifluoromethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione is CCCCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.CCCCN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.CCCCn1c(=O)c2c(C(F)(F)F)c3c(=O)n(C)c(=O)c3c(C(F)(F)F)c2c1=O.Cc1ccc(Oc2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(C)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2)cc1.

What is the InChIKey of 5-(2-butyl-1,3-dioxoisoindol-5-yl)-2-methylisoindole-1,3-dione;5-[2-(2-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-butyl-6-methyl-4,8-bis(trifluoromethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione?

The InChIKey is IPRJUCBXICFKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20F6N2O5.C24H21F3N2O4.C21H18N2O4.C17H12F6N2O4/c1-17-3-9-21(10-4-17)46-22-11-7-20(8-12-22)41-29(44)24-14-6-19(16-26(24)30(41)45)31(32(34,35)36,33(37,38)39)18-5-13-23-25(15-18)28(43)40(2)27(23)42;1-4-5-10-29-21(32)16-9-7-14(12-18(16)22(29)33)23(2,24(25,26)27)13-6-8-15-17(11-13)20(31)28(3)19(15)30;1-3-4-9-23-20(26)15-8-6-13(11-17(15)21(23)27)12-5-7-14-16(10-12)19(25)22(2)18(14)24;1-3-4-5-25-14(28)8-9(15(25)29)11(17(21,22)23)7-6(10(8)16(18,19)20)12(26)24(2)13(7)27/h3-16H,1-2H3;6-9,11-12H,4-5,10H2,1-3H3;5-8,10-11H,3-4,9H2,1-2H3;3-5H2,1-2H3.

What are the key properties of 5-(2-butyl-1,3-dioxoisoindol-5-yl)-2-methylisoindole-1,3-dione;5-[2-(2-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-butyl-6-methyl-4,8-bis(trifluoromethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione?

5-(2-butyl-1,3-dioxoisoindol-5-yl)-2-methylisoindole-1,3-dione;5-[2-(2-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-butyl-6-methyl-4,8-bis(trifluoromethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione has a molecular weight of 1881.62 g/mol, XLogP of 16.66, 17 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-butyl-1,3-dioxoisoindol-5-yl)-2-methylisoindole-1,3-dione;5-[2-(2-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-butyl-6-methyl-4,8-bis(trifluoromethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 158769460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).