bis(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonate;bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;bis(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonate;(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonochloridate;(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonochloridate

C102H78Cl3F6N9O36 — CID 158926606

About bis(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonate;bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;bis(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonate;(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonochloridate;(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonochloridate

bis(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonate;bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;bis(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonate;(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonochloridate;(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonochloridate (PubChem CID 158926606) has the molecular formula C102H78Cl3F6N9O36 and a molecular weight of 2226.12 g/mol. Its IUPAC name is bis(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonate;bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;bis(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonate;(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonochloridate;(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonochloridate.

Molecular Properties

• Compound Name: bis(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonate;bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;bis(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonate;(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonochloridate;(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonochloridate
• PubChem CID: 158926606
• Molecular Formula: C102H78Cl3F6N9O36
• Molecular Weight: 2226.12 g/mol
• Exact Mass: 2223.35
• IUPAC Name: bis(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonate;bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;bis(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonate;(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonochloridate;(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonochloridate
• SMILES: COc1c(C)c(C)c2c(c1C)C(=O)N(OC(=O)Cl)C2=O.COc1c(C)c(C)c2c(c1C)C(=O)N(OC(=O)ON1C(=O)c3c(C)c(C)c(OC)c(C)c3C1=O)C2=O.Cc1ccc(C(C)C)c2c1C(=O)N(OC(=O)Cl)C2=O.Cc1ccc(C(C)C)c2c1C(=O)N(OC(=O)ON1C(=O)c3c(C)ccc(C(C)C)c3C1=O)C2=O.O=C(Cl)ON1C(=O)c2cc(F)c(F)cc2C1=O.O=C(ON1C(=O)c2cc(F)c(F)cc2C1=O)ON1C(=O)c2cc(F)c(F)cc2C1=O
• InChI: InChI=1S/C25H24N2O9.C25H24N2O7.C17H4F4N2O7.C13H12ClNO5.C13H12ClNO4.C9H2ClF2NO4/c1-9-11(3)19(33-7)13(5)17-15(9)21(28)26(23(17)30)35-25(32)36-27-22(29)16-10(2)12(4)20(34-8)14(6)18(16)24(27)31;1-11(2)15-9-7-13(5)17-19(15)23(30)26(21(17)28)33-25(32)34-27-22(29)18-14(6)8-10-16(12(3)4)20(18)24(27)31;18-9-1-5-6(2-10(9)19)14(25)22(13(5)24)29-17(28)30-23-15(26)7-3-11(20)12(21)4-8(7)16(23)27;1-5-6(2)10(19-4)7(3)9-8(5)11(16)15(12(9)17)20-13(14)18;1-6(2)8-5-4-7(3)9-10(8)12(17)15(11(9)16)19-13(14)18;10-9(16)17-13-7(14)3-1-5(11)6(12)2-4(3)8(13)15/h1-8H3;7-12H,1-6H3;1-4H;1-4H3;4-6H,1-3H3;1-2H
• InChIKey: JINHPGZXUMGHHL-UHFFFAOYSA-N
• XLogP: 17.34
• TPSA: 549.60 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 15
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2226.12
LogP ≤ 5	17.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonate;bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;bis(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonate;(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonochloridate;(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonochloridate?

The IUPAC name of bis(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonate;bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;bis(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonate;(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonochloridate;(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonochloridate (CID 158926606) is bis(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonate;bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;bis(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonate;(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonochloridate;(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonochloridate.

What is the SMILES notation for bis(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonate;bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;bis(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonate;(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonochloridate;(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonochloridate?

The canonical SMILES for bis(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonate;bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;bis(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonate;(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonochloridate;(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonochloridate is COc1c(C)c(C)c2c(c1C)C(=O)N(OC(=O)Cl)C2=O.COc1c(C)c(C)c2c(c1C)C(=O)N(OC(=O)ON1C(=O)c3c(C)c(C)c(OC)c(C)c3C1=O)C2=O.Cc1ccc(C(C)C)c2c1C(=O)N(OC(=O)Cl)C2=O.Cc1ccc(C(C)C)c2c1C(=O)N(OC(=O)ON1C(=O)c3c(C)ccc(C(C)C)c3C1=O)C2=O.O=C(Cl)ON1C(=O)c2cc(F)c(F)cc2C1=O.O=C(ON1C(=O)c2cc(F)c(F)cc2C1=O)ON1C(=O)c2cc(F)c(F)cc2C1=O.

What is the InChIKey of bis(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonate;bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;bis(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonate;(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonochloridate;(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonochloridate?

The InChIKey is JINHPGZXUMGHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O9.C25H24N2O7.C17H4F4N2O7.C13H12ClNO5.C13H12ClNO4.C9H2ClF2NO4/c1-9-11(3)19(33-7)13(5)17-15(9)21(28)26(23(17)30)35-25(32)36-27-22(29)16-10(2)12(4)20(34-8)14(6)18(16)24(27)31;1-11(2)15-9-7-13(5)17-19(15)23(30)26(21(17)28)33-25(32)34-27-22(29)18-14(6)8-10-16(12(3)4)20(18)24(27)31;18-9-1-5-6(2-10(9)19)14(25)22(13(5)24)29-17(28)30-23-15(26)7-3-11(20)12(21)4-8(7)16(23)27;1-5-6(2)10(19-4)7(3)9-8(5)11(16)15(12(9)17)20-13(14)18;1-6(2)8-5-4-7(3)9-10(8)12(17)15(11(9)16)19-13(14)18;10-9(16)17-13-7(14)3-1-5(11)6(12)2-4(3)8(13)15/h1-8H3;7-12H,1-6H3;1-4H;1-4H3;4-6H,1-3H3;1-2H.

What are the key properties of bis(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonate;bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;bis(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonate;(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonochloridate;(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonochloridate?

bis(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonate;bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;bis(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonate;(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonochloridate;(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonochloridate has a molecular weight of 2226.12 g/mol, XLogP of 17.34, 15 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonate;bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;bis(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonate;(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonochloridate;(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonochloridate is sourced from PubChem (CID 158926606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).