copper;fluoro 2,2,4,4,4-pentafluoro-3-oxobutanoate

C4CuF6O3 — CID 87233917

IUPACcopper;fluoro 2,2,4,4,4-pentafluoro-3-oxobutanoate
SMILESO=C(OF)C(F)(F)C(=O)C(F)(F)F.[Cu]
InChIInChI=1S/C4F6O3.Cu/c5-3(6,2(12)13-10)1(11)4(7,8)9;
InChIKeyCTMLMLMAUPWYEE-UHFFFAOYSA-N
MW273.57 g/mol
LogP1.18
Rot. Bonds2

About copper;fluoro 2,2,4,4,4-pentafluoro-3-oxobutanoate

copper;fluoro 2,2,4,4,4-pentafluoro-3-oxobutanoate (PubChem CID 87233917) has the molecular formula C4CuF6O3 and a molecular weight of 273.57 g/mol. Its IUPAC name is copper;fluoro 2,2,4,4,4-pentafluoro-3-oxobutanoate.

Molecular Properties

Compound Namecopper;fluoro 2,2,4,4,4-pentafluoro-3-oxobutanoate
PubChem CID87233917
Molecular FormulaC4CuF6O3
Molecular Weight273.57 g/mol
Exact Mass272.90
IUPAC Namecopper;fluoro 2,2,4,4,4-pentafluoro-3-oxobutanoate
SMILESO=C(OF)C(F)(F)C(=O)C(F)(F)F.[Cu]
InChIInChI=1S/C4F6O3.Cu/c5-3(6,2(12)13-10)1(11)4(7,8)9;
InChIKeyCTMLMLMAUPWYEE-UHFFFAOYSA-N
XLogP1.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.57
LogP ≤ 51.18
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

trilithium;difluoro 2,2-difluoropropanedioate;phosphate
CID 172792476
cerium;1,1,1,3,3,3-hexafluoropropan-2-one
CID 90019366
tris(1,1,1,3,3,3-hexafluoropropan-2-one);iron
CID 159237842
difluoro 2,2-dichloro-3,3-difluorobutanedioate
CID 174892159
2-fluoro-3-fluorooxy-2-methyl-3-oxopropanoic acid
CID 150240323
fluoro 3,3,3-trifluoro-2-oxopropanoate
CID 87371740
1,1,1,3,3,3-hexafluoropropan-2-one;sulfur trioxide
CID 174432206
potassium;fluoro 2,2,3,3-tetrafluoropropanoate;hydride
CID 173393636
fluoro 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoate
CID 174409170
diethyl 2,2,4,4-tetrafluoro-3-oxopentanedioate
CID 86616588
3,3,4,4-tetrabromo-1,1,1,6,6,6-hexafluorohexane-2,5-dione
CID 170155777
1,1,1,3,3-pentafluorobutan-2-one
CID 21483509

Frequently Asked Questions

What is the IUPAC name of copper;fluoro 2,2,4,4,4-pentafluoro-3-oxobutanoate?
The IUPAC name of copper;fluoro 2,2,4,4,4-pentafluoro-3-oxobutanoate (CID 87233917) is copper;fluoro 2,2,4,4,4-pentafluoro-3-oxobutanoate.
What is the SMILES notation for copper;fluoro 2,2,4,4,4-pentafluoro-3-oxobutanoate?
The canonical SMILES for copper;fluoro 2,2,4,4,4-pentafluoro-3-oxobutanoate is O=C(OF)C(F)(F)C(=O)C(F)(F)F.[Cu].
What is the InChIKey of copper;fluoro 2,2,4,4,4-pentafluoro-3-oxobutanoate?
The InChIKey is CTMLMLMAUPWYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F6O3.Cu/c5-3(6,2(12)13-10)1(11)4(7,8)9;.
What are the key properties of copper;fluoro 2,2,4,4,4-pentafluoro-3-oxobutanoate?
copper;fluoro 2,2,4,4,4-pentafluoro-3-oxobutanoate has a molecular weight of 273.57 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;fluoro 2,2,4,4,4-pentafluoro-3-oxobutanoate is sourced from PubChem (CID 87233917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).