palladium(2+);bis(2,2,2-trifluoro-N-oxido-N-phenylacetamide)

C16H10F6N2O4Pd — CID 88752203

IUPACpalladium(2+);bis(2,2,2-trifluoro-N-oxido-N-phenylacetamide)
SMILESO=C(N([O-])c1ccccc1)C(F)(F)F.O=C(N([O-])c1ccccc1)C(F)(F)F.[Pd+2]
InChIInChI=1S/2C8H5F3NO2.Pd/c2*9-8(10,11)7(13)12(14)6-4-2-1-3-5-6;/h2*1-5H;/q2*-1;+2
InChIKeyQJAHYKUKYNVUQQ-UHFFFAOYSA-N
MW514.67 g/mol
LogP4.16
Rot. Bonds2

About palladium(2+);bis(2,2,2-trifluoro-N-oxido-N-phenylacetamide)

palladium(2+);bis(2,2,2-trifluoro-N-oxido-N-phenylacetamide) (PubChem CID 88752203) has the molecular formula C16H10F6N2O4Pd and a molecular weight of 514.67 g/mol. Its IUPAC name is palladium(2+);bis(2,2,2-trifluoro-N-oxido-N-phenylacetamide).

Molecular Properties

Compound Namepalladium(2+);bis(2,2,2-trifluoro-N-oxido-N-phenylacetamide)
PubChem CID88752203
Molecular FormulaC16H10F6N2O4Pd
Molecular Weight514.67 g/mol
Exact Mass513.96
IUPAC Namepalladium(2+);bis(2,2,2-trifluoro-N-oxido-N-phenylacetamide)
SMILESO=C(N([O-])c1ccccc1)C(F)(F)F.O=C(N([O-])c1ccccc1)C(F)(F)F.[Pd+2]
InChIInChI=1S/2C8H5F3NO2.Pd/c2*9-8(10,11)7(13)12(14)6-4-2-1-3-5-6;/h2*1-5H;/q2*-1;+2
InChIKeyQJAHYKUKYNVUQQ-UHFFFAOYSA-N
XLogP4.16
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.67
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-oxido-N-phenylacetamide
CID 88752204
N,N-diphenylaniline;2,2,2-trifluoroacetic acid
CID 162535406
2,2,2-trifluoro-N-(4-methylphenyl)-N-phenylacetamide
CID 19733750
2,2,2-trifluoro-N-phenyl-N-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]acetamide
CID 135009857
3,3,3-trifluoro-2-methyl-N,N-diphenyl-2-(trifluoromethyl)propanamide
CID 71672026
(2S)-2,3,3,3-tetrafluoro-2-(N-fluoroanilino)propanoyl fluoride
CID 177311104
oxalic acid;1-phenyl-1-(trifluoromethyl)hydrazine
CID 175005553
(N-nitroanilino) 2,2,2-trifluoroacetate
CID 175313905
N,3,3,3-tetrafluoro-2-hydroxy-N,2-diphenylpropanamide
CID 174755514
phenyl(trifluoromethoxy)carbamic acid
CID 87790177
N-(2-aminophenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
CID 101057684
N,N-diphenylaniline;trifluoromethanesulfonic acid
CID 86094513

Frequently Asked Questions

What is the IUPAC name of palladium(2+);bis(2,2,2-trifluoro-N-oxido-N-phenylacetamide)?
The IUPAC name of palladium(2+);bis(2,2,2-trifluoro-N-oxido-N-phenylacetamide) (CID 88752203) is palladium(2+);bis(2,2,2-trifluoro-N-oxido-N-phenylacetamide).
What is the SMILES notation for palladium(2+);bis(2,2,2-trifluoro-N-oxido-N-phenylacetamide)?
The canonical SMILES for palladium(2+);bis(2,2,2-trifluoro-N-oxido-N-phenylacetamide) is O=C(N([O-])c1ccccc1)C(F)(F)F.O=C(N([O-])c1ccccc1)C(F)(F)F.[Pd+2].
What is the InChIKey of palladium(2+);bis(2,2,2-trifluoro-N-oxido-N-phenylacetamide)?
The InChIKey is QJAHYKUKYNVUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H5F3NO2.Pd/c2*9-8(10,11)7(13)12(14)6-4-2-1-3-5-6;/h2*1-5H;/q2*-1;+2.
What are the key properties of palladium(2+);bis(2,2,2-trifluoro-N-oxido-N-phenylacetamide)?
palladium(2+);bis(2,2,2-trifluoro-N-oxido-N-phenylacetamide) has a molecular weight of 514.67 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);bis(2,2,2-trifluoro-N-oxido-N-phenylacetamide) is sourced from PubChem (CID 88752203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).