[3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl cyclopropyl methyl phosphate;[3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl dicyclopropyl phosphate;cyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl methyl phosphate;dicyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl phosphate

C116H116Cl2F10N8O32P4 — CID 158707666

About [3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl cyclopropyl methyl phosphate;[3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl dicyclopropyl phosphate;cyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl methyl phosphate;dicyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl phosphate

[3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl cyclopropyl methyl phosphate;[3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl dicyclopropyl phosphate;cyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl methyl phosphate;dicyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl phosphate (PubChem CID 158707666) has the molecular formula C116H116Cl2F10N8O32P4 and a molecular weight of 2519.01 g/mol. Its IUPAC name is [3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl cyclopropyl methyl phosphate;[3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl dicyclopropyl phosphate;cyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl methyl phosphate;dicyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl phosphate.

Molecular Properties

• Compound Name: [3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl cyclopropyl methyl phosphate;[3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl dicyclopropyl phosphate;cyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl methyl phosphate;dicyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl phosphate
• PubChem CID: 158707666
• Molecular Formula: C116H116Cl2F10N8O32P4
• Molecular Weight: 2519.01 g/mol
• Exact Mass: 2516.59
• IUPAC Name: [3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl cyclopropyl methyl phosphate;[3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl dicyclopropyl phosphate;cyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl methyl phosphate;dicyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl phosphate
• SMILES: COP(=O)(OCN1C(=O)CCC(N2Cc3cc(CCC(=O)C(F)(F)c4ccc(Cl)cc4)ccc3C2=O)C1=O)OC1CC1.COP(=O)(OCN1C(=O)CCC(N2Cc3cc(CCC(=O)C(F)(F)c4ccc(F)cc4)ccc3C2=O)C1=O)OC1CC1.O=C1CCC(N2Cc3cc(CCC(=O)C(F)(F)c4ccc(Cl)cc4)ccc3C2=O)C(=O)N1COP(=O)(OC1CC1)OC1CC1.O=C1CCC(N2Cc3cc(CCC(=O)C(F)(F)c4ccc(F)cc4)ccc3C2=O)C(=O)N1COP(=O)(OC1CC1)OC1CC1
• InChI: InChI=1S/C30H30ClF2N2O8P.C30H30F3N2O8P.C28H28ClF2N2O8P.C28H28F3N2O8P/c2*31-21-5-3-20(4-6-21)30(32,33)26(36)13-2-18-1-11-24-19(15-18)16-34(28(24)38)25-12-14-27(37)35(29(25)39)17-41-44(40,42-22-7-8-22)43-23-9-10-23;2*1-39-42(38,41-21-8-9-21)40-16-33-25(35)13-11-23(27(33)37)32-15-18-14-17(2-10-22(18)26(32)36)3-12-24(34)28(30,31)19-4-6-20(29)7-5-19/h2*1,3-6,11,15,22-23,25H,2,7-10,12-14,16-17H2;2*2,4-7,10,14,21,23H,3,8-9,11-13,15-16H2,1H3
• InChIKey: IIHYMPWPRIQTIY-UHFFFAOYSA-N
• XLogP: 20.10
• TPSA: 478.08 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 50
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2519.01
LogP ≤ 5	20.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl cyclopropyl methyl phosphate;[3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl dicyclopropyl phosphate;cyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl methyl phosphate;dicyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl phosphate?

The IUPAC name of [3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl cyclopropyl methyl phosphate;[3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl dicyclopropyl phosphate;cyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl methyl phosphate;dicyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl phosphate (CID 158707666) is [3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl cyclopropyl methyl phosphate;[3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl dicyclopropyl phosphate;cyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl methyl phosphate;dicyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl phosphate.

What is the SMILES notation for [3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl cyclopropyl methyl phosphate;[3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl dicyclopropyl phosphate;cyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl methyl phosphate;dicyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl phosphate?

The canonical SMILES for [3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl cyclopropyl methyl phosphate;[3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl dicyclopropyl phosphate;cyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl methyl phosphate;dicyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl phosphate is COP(=O)(OCN1C(=O)CCC(N2Cc3cc(CCC(=O)C(F)(F)c4ccc(Cl)cc4)ccc3C2=O)C1=O)OC1CC1.COP(=O)(OCN1C(=O)CCC(N2Cc3cc(CCC(=O)C(F)(F)c4ccc(F)cc4)ccc3C2=O)C1=O)OC1CC1.O=C1CCC(N2Cc3cc(CCC(=O)C(F)(F)c4ccc(Cl)cc4)ccc3C2=O)C(=O)N1COP(=O)(OC1CC1)OC1CC1.O=C1CCC(N2Cc3cc(CCC(=O)C(F)(F)c4ccc(F)cc4)ccc3C2=O)C(=O)N1COP(=O)(OC1CC1)OC1CC1.

What is the InChIKey of [3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl cyclopropyl methyl phosphate;[3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl dicyclopropyl phosphate;cyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl methyl phosphate;dicyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl phosphate?

The InChIKey is IIHYMPWPRIQTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClF2N2O8P.C30H30F3N2O8P.C28H28ClF2N2O8P.C28H28F3N2O8P/c2*31-21-5-3-20(4-6-21)30(32,33)26(36)13-2-18-1-11-24-19(15-18)16-34(28(24)38)25-12-14-27(37)35(29(25)39)17-41-44(40,42-22-7-8-22)43-23-9-10-23;2*1-39-42(38,41-21-8-9-21)40-16-33-25(35)13-11-23(27(33)37)32-15-18-14-17(2-10-22(18)26(32)36)3-12-24(34)28(30,31)19-4-6-20(29)7-5-19/h2*1,3-6,11,15,22-23,25H,2,7-10,12-14,16-17H2;2*2,4-7,10,14,21,23H,3,8-9,11-13,15-16H2,1H3.

What are the key properties of [3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl cyclopropyl methyl phosphate;[3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl dicyclopropyl phosphate;cyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl methyl phosphate;dicyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl phosphate?

[3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl cyclopropyl methyl phosphate;[3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl dicyclopropyl phosphate;cyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl methyl phosphate;dicyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl phosphate has a molecular weight of 2519.01 g/mol, XLogP of 20.10, 50 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl cyclopropyl methyl phosphate;[3-[6-[4-(4-chlorophenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl dicyclopropyl phosphate;cyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl methyl phosphate;dicyclopropyl [3-[6-[4,4-difluoro-4-(4-fluorophenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl phosphate is sourced from PubChem (CID 158707666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).