rhodium;bis(2,2,2-trichloroacetic acid);triphenylphosphane

C22H17Cl6O4PRh — CID 173458936

IUPACrhodium;bis(2,2,2-trichloroacetic acid);triphenylphosphane
SMILESO=C(O)C(Cl)(Cl)Cl.O=C(O)C(Cl)(Cl)Cl.[Rh].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.2C2HCl3O2.Rh/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*3-2(4,5)1(6)7;/h1-15H;2*(H,6,7);
InChIKeyQPKXVJOLUCFBEB-UHFFFAOYSA-N
MW691.97 g/mol
LogP6.32
Rot. Bonds3

About rhodium;bis(2,2,2-trichloroacetic acid);triphenylphosphane

rhodium;bis(2,2,2-trichloroacetic acid);triphenylphosphane (PubChem CID 173458936) has the molecular formula C22H17Cl6O4PRh and a molecular weight of 691.97 g/mol. Its IUPAC name is rhodium;bis(2,2,2-trichloroacetic acid);triphenylphosphane.

Molecular Properties

Compound Namerhodium;bis(2,2,2-trichloroacetic acid);triphenylphosphane
PubChem CID173458936
Molecular FormulaC22H17Cl6O4PRh
Molecular Weight691.97 g/mol
Exact Mass688.81
IUPAC Namerhodium;bis(2,2,2-trichloroacetic acid);triphenylphosphane
SMILESO=C(O)C(Cl)(Cl)Cl.O=C(O)C(Cl)(Cl)Cl.[Rh].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.2C2HCl3O2.Rh/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*3-2(4,5)1(6)7;/h1-15H;2*(H,6,7);
InChIKeyQPKXVJOLUCFBEB-UHFFFAOYSA-N
XLogP6.32
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.97
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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2-chloroacetic acid;triphenylphosphane
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acetic acid;chlororuthenium;tris(triphenylphosphane)
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triphenylphosphane
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CID 87530977
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propan-2-one;triphenylphosphane;hydrate
CID 118484852
2,2,2-trichloro-1-diphenylphosphanylethanone
CID 12909111
formaldehyde;hydride;rhodium;tris(triphenylphosphane)
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CID 53486327

Frequently Asked Questions

What is the IUPAC name of rhodium;bis(2,2,2-trichloroacetic acid);triphenylphosphane?
The IUPAC name of rhodium;bis(2,2,2-trichloroacetic acid);triphenylphosphane (CID 173458936) is rhodium;bis(2,2,2-trichloroacetic acid);triphenylphosphane.
What is the SMILES notation for rhodium;bis(2,2,2-trichloroacetic acid);triphenylphosphane?
The canonical SMILES for rhodium;bis(2,2,2-trichloroacetic acid);triphenylphosphane is O=C(O)C(Cl)(Cl)Cl.O=C(O)C(Cl)(Cl)Cl.[Rh].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of rhodium;bis(2,2,2-trichloroacetic acid);triphenylphosphane?
The InChIKey is QPKXVJOLUCFBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.2C2HCl3O2.Rh/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*3-2(4,5)1(6)7;/h1-15H;2*(H,6,7);.
What are the key properties of rhodium;bis(2,2,2-trichloroacetic acid);triphenylphosphane?
rhodium;bis(2,2,2-trichloroacetic acid);triphenylphosphane has a molecular weight of 691.97 g/mol, XLogP of 6.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for rhodium;bis(2,2,2-trichloroacetic acid);triphenylphosphane is sourced from PubChem (CID 173458936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).