palladium;prop-2-enyl 2,2,2-trifluoroacetate

C5H5F3O2Pd — CID 175036312

IUPACpalladium;prop-2-enyl 2,2,2-trifluoroacetate
SMILESC=CCOC(=O)C(F)(F)F.[Pd]
InChIInChI=1S/C5H5F3O2.Pd/c1-2-3-10-4(9)5(6,7)8;/h2H,1,3H2;
InChIKeyFYAVYDNPXFIGTQ-UHFFFAOYSA-N
MW260.51 g/mol
LogP1.28
Rot. Bonds2

About palladium;prop-2-enyl 2,2,2-trifluoroacetate

palladium;prop-2-enyl 2,2,2-trifluoroacetate (PubChem CID 175036312) has the molecular formula C5H5F3O2Pd and a molecular weight of 260.51 g/mol. Its IUPAC name is palladium;prop-2-enyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namepalladium;prop-2-enyl 2,2,2-trifluoroacetate
PubChem CID175036312
Molecular FormulaC5H5F3O2Pd
Molecular Weight260.51 g/mol
Exact Mass259.93
IUPAC Namepalladium;prop-2-enyl 2,2,2-trifluoroacetate
SMILESC=CCOC(=O)C(F)(F)F.[Pd]
InChIInChI=1S/C5H5F3O2.Pd/c1-2-3-10-4(9)5(6,7)8;/h2H,1,3H2;
InChIKeyFYAVYDNPXFIGTQ-UHFFFAOYSA-N
XLogP1.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.51
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

nickel;prop-2-enyl 2,2,2-trifluoroacetate
CID 88780784
prop-2-enyl 2-chloro-3,3,3-trifluoro-2-methylpropanoate
CID 87523010
prop-2-enyl 2,3,3,3-tetrafluoro-2-(1,1,3,3,3-pentafluoro-2-oxopropoxy)propanoate
CID 88513511
prop-2-enyl 2,2-bis(prop-2-enyl)pent-4-enoate
CID 87234106
bis(prop-2-enyl) 2-(aminooxymethyl)-2-methylpropanedioate
CID 121263061
prop-2-enyl 2-chloro-2-methylpropanoate
CID 21285838
aminomethyl 2,2,2-trifluoroacetate
CID 59001854
prop-2-enyl 2,2-dimethylbutanoate
CID 18714422
1-O-ethyl 4-O-prop-2-enyl 2,2,3,3-tetramethylbutanedioate
CID 59122625
prop-2-enyl 2,2-dibromobutanoate
CID 88675636
bis(prop-2-enyl) carbonate;ethene
CID 87465968
prop-2-enyl 2,2-dimethyl-4-oxobutanoate
CID 163211524

Frequently Asked Questions

What is the IUPAC name of palladium;prop-2-enyl 2,2,2-trifluoroacetate?
The IUPAC name of palladium;prop-2-enyl 2,2,2-trifluoroacetate (CID 175036312) is palladium;prop-2-enyl 2,2,2-trifluoroacetate.
What is the SMILES notation for palladium;prop-2-enyl 2,2,2-trifluoroacetate?
The canonical SMILES for palladium;prop-2-enyl 2,2,2-trifluoroacetate is C=CCOC(=O)C(F)(F)F.[Pd].
What is the InChIKey of palladium;prop-2-enyl 2,2,2-trifluoroacetate?
The InChIKey is FYAVYDNPXFIGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O2.Pd/c1-2-3-10-4(9)5(6,7)8;/h2H,1,3H2;.
What are the key properties of palladium;prop-2-enyl 2,2,2-trifluoroacetate?
palladium;prop-2-enyl 2,2,2-trifluoroacetate has a molecular weight of 260.51 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for palladium;prop-2-enyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 175036312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).