tetrakis(methyl (2S)-4,4-difluoro-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))

C24H24F8N4O12Rh2 — CID 11355013

IUPACtetrakis(methyl (2S)-4,4-difluoro-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))
SMILESCOC(=O)[C@@H]1CC(F)(F)C(=O)[N-]1.COC(=O)[C@@H]1CC(F)(F)C(=O)[N-]1.COC(=O)[C@@H]1CC(F)(F)C(=O)[N-]1.COC(=O)[C@@H]1CC(F)(F)C(=O)[N-]1.[Rh+2].[Rh+2]
InChIInChI=1S/4C6H7F2NO3.2Rh/c4*1-12-4(10)3-2-6(7,8)5(11)9-3;;/h4*3H,2H2,1H3,(H,9,11);;/q;;;;2*+2/p-4/t4*3-;;/m0000../s1
InChIKeyPJRFBEJSPUSTGX-AABFXYGWSA-J
MW918.27 g/mol
LogP1.86
Rot. Bonds4

About tetrakis(methyl (2S)-4,4-difluoro-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))

tetrakis(methyl (2S)-4,4-difluoro-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)) (PubChem CID 11355013) has the molecular formula C24H24F8N4O12Rh2 and a molecular weight of 918.27 g/mol. Its IUPAC name is tetrakis(methyl (2S)-4,4-difluoro-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)).

Molecular Properties

Compound Nametetrakis(methyl (2S)-4,4-difluoro-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))
PubChem CID11355013
Molecular FormulaC24H24F8N4O12Rh2
Molecular Weight918.27 g/mol
Exact Mass917.94
IUPAC Nametetrakis(methyl (2S)-4,4-difluoro-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))
SMILESCOC(=O)[C@@H]1CC(F)(F)C(=O)[N-]1.COC(=O)[C@@H]1CC(F)(F)C(=O)[N-]1.COC(=O)[C@@H]1CC(F)(F)C(=O)[N-]1.COC(=O)[C@@H]1CC(F)(F)C(=O)[N-]1.[Rh+2].[Rh+2]
InChIInChI=1S/4C6H7F2NO3.2Rh/c4*1-12-4(10)3-2-6(7,8)5(11)9-3;;/h4*3H,2H2,1H3,(H,9,11);;/q;;;;2*+2/p-4/t4*3-;;/m0000../s1
InChIKeyPJRFBEJSPUSTGX-AABFXYGWSA-J
XLogP1.86
TPSA229.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tetrakis(methyl (2S)-4,4-difluoro-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate;rhodium(2+)
CID 11136483
RH2[(S)-Mepy]4
CID 15258146
Dirhodium tetrakis[methyl (R)-2-pyrrolidinone-5-carboxylate]
CID 71310079
bis(acetonitrile);tetrakis(methyl (2S)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))
CID 385459
bis(acetonitrile);tetrakis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))
CID 385460
tetrakis((2R)-1-methyl-5-oxopyrrolidine-2-carboxylate);bis(rhodium(2+))
CID 10190773
Rhodium(2+) (2S)-1-methyl-5-oxopyrrolidine-2-carboxylate (1/2)
CID 57347884
tetrakis(methyl (2S)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))
CID 10876458
tetrakis(methyl (2S)-5-oxopyrrolidine-2-carboxylate);bis(rhodium)
CID 10898032
tetrakis(methyl (2R)-5-oxopyrrolidine-2-carboxylate);bis(rhodium)
CID 11018169
RH2(R-Mepy)4
CID 15258147
bis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(methyl (2S)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))
CID 56845736

Frequently Asked Questions

What is the IUPAC name of tetrakis(methyl (2S)-4,4-difluoro-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))?
The IUPAC name of tetrakis(methyl (2S)-4,4-difluoro-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)) (CID 11355013) is tetrakis(methyl (2S)-4,4-difluoro-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)).
What is the SMILES notation for tetrakis(methyl (2S)-4,4-difluoro-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))?
The canonical SMILES for tetrakis(methyl (2S)-4,4-difluoro-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)) is COC(=O)[C@@H]1CC(F)(F)C(=O)[N-]1.COC(=O)[C@@H]1CC(F)(F)C(=O)[N-]1.COC(=O)[C@@H]1CC(F)(F)C(=O)[N-]1.COC(=O)[C@@H]1CC(F)(F)C(=O)[N-]1.[Rh+2].[Rh+2].
What is the InChIKey of tetrakis(methyl (2S)-4,4-difluoro-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))?
The InChIKey is PJRFBEJSPUSTGX-AABFXYGWSA-J. The full InChI is InChI=1S/4C6H7F2NO3.2Rh/c4*1-12-4(10)3-2-6(7,8)5(11)9-3;;/h4*3H,2H2,1H3,(H,9,11);;/q;;;;2*+2/p-4/t4*3-;;/m0000../s1.
What are the key properties of tetrakis(methyl (2S)-4,4-difluoro-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))?
tetrakis(methyl (2S)-4,4-difluoro-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)) has a molecular weight of 918.27 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(methyl (2S)-4,4-difluoro-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)) is sourced from PubChem (CID 11355013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).