4-(difluoromethyl)-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methoxy-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione

C58H49F3N8O17 — CID 167541273

About 4-(difluoromethyl)-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methoxy-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione

4-(difluoromethyl)-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methoxy-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione (PubChem CID 167541273) has the molecular formula C58H49F3N8O17 and a molecular weight of 1187.06 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methoxy-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-(difluoromethyl)-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methoxy-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione
• PubChem CID: 167541273
• Molecular Formula: C58H49F3N8O17
• Molecular Weight: 1187.06 g/mol
• Exact Mass: 1186.32
• IUPAC Name: 4-(difluoromethyl)-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methoxy-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione
• SMILES: COc1cc2c(cc1C)C(=O)N(C1CCC(=O)NC1=O)C2=O.Cc1cc2c(c(C(F)F)c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.Cc1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2=O.Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C15H12F2N2O4.C15H14N2O5.C14H11FN2O4.C14H12N2O4/c1-6-4-7(12(16)17)11-8(5-6)14(22)19(15(11)23)9-2-3-10(20)18-13(9)21;1-7-5-8-9(6-11(7)22-2)15(21)17(14(8)20)10-3-4-12(18)16-13(10)19;1-6-4-7-8(5-9(6)15)14(21)17(13(7)20)10-2-3-11(18)16-12(10)19;1-7-2-3-8-9(6-7)14(20)16(13(8)19)10-4-5-11(17)15-12(10)18/h4-5,9,12H,2-3H2,1H3,(H,18,20,21);5-6,10H,3-4H2,1-2H3,(H,16,18,19);4-5,10H,2-3H2,1H3,(H,16,18,19);2-3,6,10H,4-5H2,1H3,(H,15,17,18)
• InChIKey: BFMDGLSZJHFVBH-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 343.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 6
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1187.06
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methoxy-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione?

The IUPAC name of 4-(difluoromethyl)-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methoxy-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione (CID 167541273) is 4-(difluoromethyl)-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methoxy-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione.

What is the SMILES notation for 4-(difluoromethyl)-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methoxy-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione?

The canonical SMILES for 4-(difluoromethyl)-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methoxy-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione is COc1cc2c(cc1C)C(=O)N(C1CCC(=O)NC1=O)C2=O.Cc1cc2c(c(C(F)F)c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.Cc1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2=O.Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 4-(difluoromethyl)-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methoxy-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione?

The InChIKey is BFMDGLSZJHFVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O4.C15H14N2O5.C14H11FN2O4.C14H12N2O4/c1-6-4-7(12(16)17)11-8(5-6)14(22)19(15(11)23)9-2-3-10(20)18-13(9)21;1-7-5-8-9(6-11(7)22-2)15(21)17(14(8)20)10-3-4-12(18)16-13(10)19;1-6-4-7-8(5-9(6)15)14(21)17(13(7)20)10-2-3-11(18)16-12(10)19;1-7-2-3-8-9(6-7)14(20)16(13(8)19)10-4-5-11(17)15-12(10)18/h4-5,9,12H,2-3H2,1H3,(H,18,20,21);5-6,10H,3-4H2,1-2H3,(H,16,18,19);4-5,10H,2-3H2,1H3,(H,16,18,19);2-3,6,10H,4-5H2,1H3,(H,15,17,18).

What are the key properties of 4-(difluoromethyl)-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methoxy-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione?

4-(difluoromethyl)-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methoxy-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione has a molecular weight of 1187.06 g/mol, XLogP of 2.67, 6 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(difluoromethyl)-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methoxy-6-methylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione is sourced from PubChem (CID 167541273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).