tetrakis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoate);bis(rhodium(2+))

C56H40F16N4O16Rh2 — CID 23649506

About tetrakis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoate);bis(rhodium(2+))

tetrakis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoate);bis(rhodium(2+)) (PubChem CID 23649506) has the molecular formula C56H40F16N4O16Rh2 and a molecular weight of 1534.73 g/mol. Its IUPAC name is tetrakis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoate);bis(rhodium(2+)).

Molecular Properties

• Compound Name: tetrakis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoate);bis(rhodium(2+))
• PubChem CID: 23649506
• Molecular Formula: C56H40F16N4O16Rh2
• Molecular Weight: 1534.73 g/mol
• Exact Mass: 1534.03
• IUPAC Name: tetrakis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoate);bis(rhodium(2+))
• SMILES: 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.CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O.[Rh+2].[Rh+2]
• InChI: 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);;/q;;;;2*+2/p-4/t4*10-;;/m1111../s1
• InChIKey: HMXMSPMVWASHKQ-MYHKTDPMSA-J
• XLogP: 4.01
• TPSA: 310.04 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1534.73
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

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'}

Frequently Asked Questions

What is the IUPAC name of tetrakis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoate);bis(rhodium(2+))?

The IUPAC name of tetrakis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoate);bis(rhodium(2+)) (CID 23649506) is tetrakis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoate);bis(rhodium(2+)).

What is the SMILES notation for tetrakis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoate);bis(rhodium(2+))?

The canonical SMILES for tetrakis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoate);bis(rhodium(2+)) is 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.CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O.[Rh+2].[Rh+2].

What is the InChIKey of tetrakis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoate);bis(rhodium(2+))?

The InChIKey is HMXMSPMVWASHKQ-MYHKTDPMSA-J. 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);;/q;;;;2*+2/p-4/t4*10-;;/m1111../s1.

What are the key properties of tetrakis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoate);bis(rhodium(2+))?

tetrakis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoate);bis(rhodium(2+)) has a molecular weight of 1534.73 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis((2S)-3,3-dimethyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoate);bis(rhodium(2+)) is sourced from PubChem (CID 23649506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).