tris((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid);3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid;bis(rhodium)

C56H44F16N4O16Rh2 — CID 139247282

IUPACtris((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid);3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid;bis(rhodium)
SMILESCC(C)(C)C(C(=O)O)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O.CC(C)(C)[C@@H](C(=O)O)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O.CC(C)(C)[C@@H](C(=O)O)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O.CC(C)(C)[C@@H](C(=O)O)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O.[Rh].[Rh]
InChIInChI=1S/4C14H11F4NO4.2Rh/c4*1-14(2,3)10(13(22)23)19-11(20)4-5(12(19)21)7(16)9(18)8(17)6(4)15;;/h4*10H,1-3H3,(H,22,23);;/t3*10-;;;/m111.../s1
InChIKeyFJXNOLZLCINMCG-CGORIIEKSA-N
MW1538.76 g/mol
LogP9.35
Rot. Bonds8

About tris((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid);3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid;bis(rhodium)

tris((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid);3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid;bis(rhodium) (PubChem CID 139247282) has the molecular formula C56H44F16N4O16Rh2 and a molecular weight of 1538.76 g/mol. Its IUPAC name is tris((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid);3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid;bis(rhodium).

Molecular Properties

Compound Nametris((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid);3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid;bis(rhodium)
PubChem CID139247282
Molecular FormulaC56H44F16N4O16Rh2
Molecular Weight1538.76 g/mol
Exact Mass1538.06
IUPAC Nametris((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid);3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid;bis(rhodium)
SMILESCC(C)(C)C(C(=O)O)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O.CC(C)(C)[C@@H](C(=O)O)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O.CC(C)(C)[C@@H](C(=O)O)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O.CC(C)(C)[C@@H](C(=O)O)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O.[Rh].[Rh]
InChIInChI=1S/4C14H11F4NO4.2Rh/c4*1-14(2,3)10(13(22)23)19-11(20)4-5(12(19)21)7(16)9(18)8(17)6(4)15;;/h4*10H,1-3H3,(H,22,23);;/t3*10-;;;/m111.../s1
InChIKeyFJXNOLZLCINMCG-CGORIIEKSA-N
XLogP9.35
TPSA298.72 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001538.76
LogP ≤ 59.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid);3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid;bis(rhodium)?
The IUPAC name of tris((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid);3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid;bis(rhodium) (CID 139247282) is tris((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid);3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid;bis(rhodium).
What is the SMILES notation for tris((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid);3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid;bis(rhodium)?
The canonical SMILES for tris((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid);3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid;bis(rhodium) is CC(C)(C)C(C(=O)O)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O.CC(C)(C)[C@@H](C(=O)O)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O.CC(C)(C)[C@@H](C(=O)O)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O.CC(C)(C)[C@@H](C(=O)O)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O.[Rh].[Rh].
What is the InChIKey of tris((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid);3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid;bis(rhodium)?
The InChIKey is FJXNOLZLCINMCG-CGORIIEKSA-N. The full InChI is InChI=1S/4C14H11F4NO4.2Rh/c4*1-14(2,3)10(13(22)23)19-11(20)4-5(12(19)21)7(16)9(18)8(17)6(4)15;;/h4*10H,1-3H3,(H,22,23);;/t3*10-;;;/m111.../s1.
What are the key properties of tris((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid);3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid;bis(rhodium)?
tris((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid);3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid;bis(rhodium) has a molecular weight of 1538.76 g/mol, XLogP of 9.35, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid);3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid;bis(rhodium) is sourced from PubChem (CID 139247282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).