methanone;rhodium;2,2,2-trifluoroacetic acid;bis(triphenylphosphanium)

C39H34F3O3P2Rh+ — CID 88636854

IUPACmethanone;rhodium;2,2,2-trifluoroacetic acid;bis(triphenylphosphanium)
SMILESO=C(O)C(F)(F)F.[CH-]=O.[Rh].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C2HF3O2.CHO.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3-2(4,5)1(6)7;1-2;/h2*1-15H;(H,6,7);1H;/q;;;-1;/p+2
InChIKeyKPSLDFSBZKTNFG-UHFFFAOYSA-P
MW772.55 g/mol
LogP6.71
Rot. Bonds6

About methanone;rhodium;2,2,2-trifluoroacetic acid;bis(triphenylphosphanium)

methanone;rhodium;2,2,2-trifluoroacetic acid;bis(triphenylphosphanium) (PubChem CID 88636854) has the molecular formula C39H34F3O3P2Rh+ and a molecular weight of 772.55 g/mol. Its IUPAC name is methanone;rhodium;2,2,2-trifluoroacetic acid;bis(triphenylphosphanium).

Molecular Properties

Compound Namemethanone;rhodium;2,2,2-trifluoroacetic acid;bis(triphenylphosphanium)
PubChem CID88636854
Molecular FormulaC39H34F3O3P2Rh+
Molecular Weight772.55 g/mol
Exact Mass772.10
IUPAC Namemethanone;rhodium;2,2,2-trifluoroacetic acid;bis(triphenylphosphanium)
SMILESO=C(O)C(F)(F)F.[CH-]=O.[Rh].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C2HF3O2.CHO.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3-2(4,5)1(6)7;1-2;/h2*1-15H;(H,6,7);1H;/q;;;-1;/p+2
InChIKeyKPSLDFSBZKTNFG-UHFFFAOYSA-P
XLogP6.71
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.55
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanone;rhodium;2,2,2-trifluoroacetic acid;bis(triphenylphosphanium)?
The IUPAC name of methanone;rhodium;2,2,2-trifluoroacetic acid;bis(triphenylphosphanium) (CID 88636854) is methanone;rhodium;2,2,2-trifluoroacetic acid;bis(triphenylphosphanium).
What is the SMILES notation for methanone;rhodium;2,2,2-trifluoroacetic acid;bis(triphenylphosphanium)?
The canonical SMILES for methanone;rhodium;2,2,2-trifluoroacetic acid;bis(triphenylphosphanium) is O=C(O)C(F)(F)F.[CH-]=O.[Rh].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of methanone;rhodium;2,2,2-trifluoroacetic acid;bis(triphenylphosphanium)?
The InChIKey is KPSLDFSBZKTNFG-UHFFFAOYSA-P. The full InChI is InChI=1S/2C18H15P.C2HF3O2.CHO.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3-2(4,5)1(6)7;1-2;/h2*1-15H;(H,6,7);1H;/q;;;-1;/p+2.
What are the key properties of methanone;rhodium;2,2,2-trifluoroacetic acid;bis(triphenylphosphanium)?
methanone;rhodium;2,2,2-trifluoroacetic acid;bis(triphenylphosphanium) has a molecular weight of 772.55 g/mol, XLogP of 6.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanone;rhodium;2,2,2-trifluoroacetic acid;bis(triphenylphosphanium) is sourced from PubChem (CID 88636854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).