ethyl 5-[[[2,2,3,3,5,5,6,6-octafluoro-4-[2,2,3,3,5,5,6,6-octafluoro-4-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexyl]cyclohexyl]amino]methoxy]-1,3-dioxoisoindole-2-carboxylate;3,3,4,4,5,5-hexafluoro-1-methylpiperidine-2,6-dione;1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione;3,3,4,4-tetrafluoro-1-methylpyrrolidine-2,5-dione

C51H32F29N7O14 — CID 161489954

About ethyl 5-[[[2,2,3,3,5,5,6,6-octafluoro-4-[2,2,3,3,5,5,6,6-octafluoro-4-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexyl]cyclohexyl]amino]methoxy]-1,3-dioxoisoindole-2-carboxylate;3,3,4,4,5,5-hexafluoro-1-methylpiperidine-2,6-dione;1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione;3,3,4,4-tetrafluoro-1-methylpyrrolidine-2,5-dione

ethyl 5-[[[2,2,3,3,5,5,6,6-octafluoro-4-[2,2,3,3,5,5,6,6-octafluoro-4-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexyl]cyclohexyl]amino]methoxy]-1,3-dioxoisoindole-2-carboxylate;3,3,4,4,5,5-hexafluoro-1-methylpiperidine-2,6-dione;1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione;3,3,4,4-tetrafluoro-1-methylpyrrolidine-2,5-dione (PubChem CID 161489954) has the molecular formula C51H32F29N7O14 and a molecular weight of 1517.79 g/mol. Its IUPAC name is ethyl 5-[[[2,2,3,3,5,5,6,6-octafluoro-4-[2,2,3,3,5,5,6,6-octafluoro-4-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexyl]cyclohexyl]amino]methoxy]-1,3-dioxoisoindole-2-carboxylate;3,3,4,4,5,5-hexafluoro-1-methylpiperidine-2,6-dione;1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione;3,3,4,4-tetrafluoro-1-methylpyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: ethyl 5-[[[2,2,3,3,5,5,6,6-octafluoro-4-[2,2,3,3,5,5,6,6-octafluoro-4-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexyl]cyclohexyl]amino]methoxy]-1,3-dioxoisoindole-2-carboxylate;3,3,4,4,5,5-hexafluoro-1-methylpiperidine-2,6-dione;1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione;3,3,4,4-tetrafluoro-1-methylpyrrolidine-2,5-dione
• PubChem CID: 161489954
• Molecular Formula: C51H32F29N7O14
• Molecular Weight: 1517.79 g/mol
• Exact Mass: 1517.15
• IUPAC Name: ethyl 5-[[[2,2,3,3,5,5,6,6-octafluoro-4-[2,2,3,3,5,5,6,6-octafluoro-4-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexyl]cyclohexyl]amino]methoxy]-1,3-dioxoisoindole-2-carboxylate;3,3,4,4,5,5-hexafluoro-1-methylpiperidine-2,6-dione;1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione;3,3,4,4-tetrafluoro-1-methylpyrrolidine-2,5-dione
• SMILES: CCOC(=O)N1C(=O)c2ccc(OCNC3C(F)(F)C(F)(F)C(C4C(F)(F)C(F)(F)C(NC(=O)c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)C4(F)F)C(F)(F)C3(F)F)cc2C1=O.CN1C(=O)C(F)(F)C(F)(F)C(F)(F)C1=O.CN1C(=O)C(F)(F)C(F)(F)C1=O.CN1C(=O)C=C(C(F)(F)F)C1=O
• InChI: InChI=1S/C34H22F16N4O8.C6H3F6NO2.C6H4F3NO2.C5H3F4NO2/c1-3-61-26(60)54-22(58)14-7-5-12(9-16(14)23(54)59)62-10-51-24-31(43,44)27(35,36)17(28(37,38)32(24,45)46)18-29(39,40)33(47,48)25(34(49,50)30(18,41)42)52-19(55)11-4-6-13-15(8-11)21(57)53(2)20(13)56;1-13-2(14)4(7,8)6(11,12)5(9,10)3(13)15;1-10-4(11)2-3(5(10)12)6(7,8)9;1-10-2(11)4(6,7)5(8,9)3(10)12/h4-9,17-18,24-25,51H,3,10H2,1-2H3,(H,52,55);1H3;2H,1H3;1H3
• InChIKey: WFLXLQKTWBXQPP-UHFFFAOYSA-N
• XLogP: 7.72
• TPSA: 263.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1517.79
LogP ≤ 5	7.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[[2,2,3,3,5,5,6,6-octafluoro-4-[2,2,3,3,5,5,6,6-octafluoro-4-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexyl]cyclohexyl]amino]methoxy]-1,3-dioxoisoindole-2-carboxylate;3,3,4,4,5,5-hexafluoro-1-methylpiperidine-2,6-dione;1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione;3,3,4,4-tetrafluoro-1-methylpyrrolidine-2,5-dione?

The IUPAC name of ethyl 5-[[[2,2,3,3,5,5,6,6-octafluoro-4-[2,2,3,3,5,5,6,6-octafluoro-4-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexyl]cyclohexyl]amino]methoxy]-1,3-dioxoisoindole-2-carboxylate;3,3,4,4,5,5-hexafluoro-1-methylpiperidine-2,6-dione;1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione;3,3,4,4-tetrafluoro-1-methylpyrrolidine-2,5-dione (CID 161489954) is ethyl 5-[[[2,2,3,3,5,5,6,6-octafluoro-4-[2,2,3,3,5,5,6,6-octafluoro-4-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexyl]cyclohexyl]amino]methoxy]-1,3-dioxoisoindole-2-carboxylate;3,3,4,4,5,5-hexafluoro-1-methylpiperidine-2,6-dione;1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione;3,3,4,4-tetrafluoro-1-methylpyrrolidine-2,5-dione.

What is the SMILES notation for ethyl 5-[[[2,2,3,3,5,5,6,6-octafluoro-4-[2,2,3,3,5,5,6,6-octafluoro-4-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexyl]cyclohexyl]amino]methoxy]-1,3-dioxoisoindole-2-carboxylate;3,3,4,4,5,5-hexafluoro-1-methylpiperidine-2,6-dione;1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione;3,3,4,4-tetrafluoro-1-methylpyrrolidine-2,5-dione?

The canonical SMILES for ethyl 5-[[[2,2,3,3,5,5,6,6-octafluoro-4-[2,2,3,3,5,5,6,6-octafluoro-4-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexyl]cyclohexyl]amino]methoxy]-1,3-dioxoisoindole-2-carboxylate;3,3,4,4,5,5-hexafluoro-1-methylpiperidine-2,6-dione;1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione;3,3,4,4-tetrafluoro-1-methylpyrrolidine-2,5-dione is CCOC(=O)N1C(=O)c2ccc(OCNC3C(F)(F)C(F)(F)C(C4C(F)(F)C(F)(F)C(NC(=O)c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)C4(F)F)C(F)(F)C3(F)F)cc2C1=O.CN1C(=O)C(F)(F)C(F)(F)C(F)(F)C1=O.CN1C(=O)C(F)(F)C(F)(F)C1=O.CN1C(=O)C=C(C(F)(F)F)C1=O.

What is the InChIKey of ethyl 5-[[[2,2,3,3,5,5,6,6-octafluoro-4-[2,2,3,3,5,5,6,6-octafluoro-4-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexyl]cyclohexyl]amino]methoxy]-1,3-dioxoisoindole-2-carboxylate;3,3,4,4,5,5-hexafluoro-1-methylpiperidine-2,6-dione;1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione;3,3,4,4-tetrafluoro-1-methylpyrrolidine-2,5-dione?

The InChIKey is WFLXLQKTWBXQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22F16N4O8.C6H3F6NO2.C6H4F3NO2.C5H3F4NO2/c1-3-61-26(60)54-22(58)14-7-5-12(9-16(14)23(54)59)62-10-51-24-31(43,44)27(35,36)17(28(37,38)32(24,45)46)18-29(39,40)33(47,48)25(34(49,50)30(18,41)42)52-19(55)11-4-6-13-15(8-11)21(57)53(2)20(13)56;1-13-2(14)4(7,8)6(11,12)5(9,10)3(13)15;1-10-4(11)2-3(5(10)12)6(7,8)9;1-10-2(11)4(6,7)5(8,9)3(10)12/h4-9,17-18,24-25,51H,3,10H2,1-2H3,(H,52,55);1H3;2H,1H3;1H3.

What are the key properties of ethyl 5-[[[2,2,3,3,5,5,6,6-octafluoro-4-[2,2,3,3,5,5,6,6-octafluoro-4-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexyl]cyclohexyl]amino]methoxy]-1,3-dioxoisoindole-2-carboxylate;3,3,4,4,5,5-hexafluoro-1-methylpiperidine-2,6-dione;1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione;3,3,4,4-tetrafluoro-1-methylpyrrolidine-2,5-dione?

ethyl 5-[[[2,2,3,3,5,5,6,6-octafluoro-4-[2,2,3,3,5,5,6,6-octafluoro-4-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexyl]cyclohexyl]amino]methoxy]-1,3-dioxoisoindole-2-carboxylate;3,3,4,4,5,5-hexafluoro-1-methylpiperidine-2,6-dione;1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione;3,3,4,4-tetrafluoro-1-methylpyrrolidine-2,5-dione has a molecular weight of 1517.79 g/mol, XLogP of 7.72, 8 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[[[2,2,3,3,5,5,6,6-octafluoro-4-[2,2,3,3,5,5,6,6-octafluoro-4-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexyl]cyclohexyl]amino]methoxy]-1,3-dioxoisoindole-2-carboxylate;3,3,4,4,5,5-hexafluoro-1-methylpiperidine-2,6-dione;1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione;3,3,4,4-tetrafluoro-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 161489954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).