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

C22H19F4O4PRh — CID 173458456

IUPACbis(2,2-difluoroacetic acid);rhodium;triphenylphosphane
SMILESO=C(O)C(F)F.O=C(O)C(F)F.[Rh].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.2C2H2F2O2.Rh/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*3-1(4)2(5)6;/h1-15H;2*1H,(H,5,6);
InChIKeyKXXYKBMAHLVCAA-UHFFFAOYSA-N
MW557.26 g/mol
LogP4.11
Rot. Bonds5

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

bis(2,2-difluoroacetic acid);rhodium;triphenylphosphane (PubChem CID 173458456) has the molecular formula C22H19F4O4PRh and a molecular weight of 557.26 g/mol. Its IUPAC name is bis(2,2-difluoroacetic acid);rhodium;triphenylphosphane.

Molecular Properties

Compound Namebis(2,2-difluoroacetic acid);rhodium;triphenylphosphane
PubChem CID173458456
Molecular FormulaC22H19F4O4PRh
Molecular Weight557.26 g/mol
Exact Mass557.00
IUPAC Namebis(2,2-difluoroacetic acid);rhodium;triphenylphosphane
SMILESO=C(O)C(F)F.O=C(O)C(F)F.[Rh].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.2C2H2F2O2.Rh/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*3-1(4)2(5)6;/h1-15H;2*1H,(H,5,6);
InChIKeyKXXYKBMAHLVCAA-UHFFFAOYSA-N
XLogP4.11
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.26
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 173458936
formaldehyde;hydride;rhodium;tris(triphenylphosphane)
CID 53486328
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CID 53486327
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Frequently Asked Questions

What is the IUPAC name of bis(2,2-difluoroacetic acid);rhodium;triphenylphosphane?
The IUPAC name of bis(2,2-difluoroacetic acid);rhodium;triphenylphosphane (CID 173458456) is bis(2,2-difluoroacetic acid);rhodium;triphenylphosphane.
What is the SMILES notation for bis(2,2-difluoroacetic acid);rhodium;triphenylphosphane?
The canonical SMILES for bis(2,2-difluoroacetic acid);rhodium;triphenylphosphane is O=C(O)C(F)F.O=C(O)C(F)F.[Rh].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(2,2-difluoroacetic acid);rhodium;triphenylphosphane?
The InChIKey is KXXYKBMAHLVCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.2C2H2F2O2.Rh/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*3-1(4)2(5)6;/h1-15H;2*1H,(H,5,6);.
What are the key properties of bis(2,2-difluoroacetic acid);rhodium;triphenylphosphane?
bis(2,2-difluoroacetic acid);rhodium;triphenylphosphane has a molecular weight of 557.26 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-difluoroacetic acid);rhodium;triphenylphosphane is sourced from PubChem (CID 173458456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).