acetyl 2,2,2-trifluoroacetate;copper

C4H3Cu2F3O3 — CID 174842973

IUPACacetyl 2,2,2-trifluoroacetate;copper
SMILESCC(=O)OC(=O)C(F)(F)F.[Cu].[Cu]
InChIInChI=1S/C4H3F3O3.2Cu/c1-2(8)10-3(9)4(5,6)7;;/h1H3;;
InChIKeyNBGUPPQZHKMZIU-UHFFFAOYSA-N
MW283.15 g/mol
LogP0.63
Rot. Bonds

About acetyl 2,2,2-trifluoroacetate;copper

acetyl 2,2,2-trifluoroacetate;copper (PubChem CID 174842973) has the molecular formula C4H3Cu2F3O3 and a molecular weight of 283.15 g/mol. Its IUPAC name is acetyl 2,2,2-trifluoroacetate;copper.

Molecular Properties

Compound Nameacetyl 2,2,2-trifluoroacetate;copper
PubChem CID174842973
Molecular FormulaC4H3Cu2F3O3
Molecular Weight283.15 g/mol
Exact Mass281.86
IUPAC Nameacetyl 2,2,2-trifluoroacetate;copper
SMILESCC(=O)OC(=O)C(F)(F)F.[Cu].[Cu]
InChIInChI=1S/C4H3F3O3.2Cu/c1-2(8)10-3(9)4(5,6)7;;/h1H3;;
InChIKeyNBGUPPQZHKMZIU-UHFFFAOYSA-N
XLogP0.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

acetic acid;acetyl 2,2,2-trifluoroacetate
CID 175408776
acetyl 2,2,2-trifluoroacetate;nitric acid
CID 174419979
acetyl 2,2,2-trifluoroacetate;triphenylphosphane
CID 174839065
acetyl 2,2-difluoro-2-(trifluoromethoxy)acetate
CID 175561755
cyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 175538194
dichloromethane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 23148895
acetyl 2,2-dimethylpropanoate;silver
CID 146467098
(2,2,2-trifluoroacetyl) 2-hydroxypropanoate
CID 174789042
3,3-dimethylbut-1-en-2-yl 2,2,2-trifluoroacetate
CID 12871431
acetyl 2,2-diacetyl-3-oxobutanoate;zirconium
CID 87175244
alumane;diacetyl oxalate
CID 173325871
(2,2,2-trifluoroacetyl) 3-chloropropanoate
CID 154350326

Frequently Asked Questions

What is the IUPAC name of acetyl 2,2,2-trifluoroacetate;copper?
The IUPAC name of acetyl 2,2,2-trifluoroacetate;copper (CID 174842973) is acetyl 2,2,2-trifluoroacetate;copper.
What is the SMILES notation for acetyl 2,2,2-trifluoroacetate;copper?
The canonical SMILES for acetyl 2,2,2-trifluoroacetate;copper is CC(=O)OC(=O)C(F)(F)F.[Cu].[Cu].
What is the InChIKey of acetyl 2,2,2-trifluoroacetate;copper?
The InChIKey is NBGUPPQZHKMZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3O3.2Cu/c1-2(8)10-3(9)4(5,6)7;;/h1H3;;.
What are the key properties of acetyl 2,2,2-trifluoroacetate;copper?
acetyl 2,2,2-trifluoroacetate;copper has a molecular weight of 283.15 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 2,2,2-trifluoroacetate;copper is sourced from PubChem (CID 174842973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).