copper;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one

C5H5CuF3O2 — CID 58773962

IUPACcopper;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one
SMILESCC(=O)/C=C(\O)C(F)(F)F.[Cu]
InChIInChI=1S/C5H5F3O2.Cu/c1-3(9)2-4(10)5(6,7)8;/h2,10H,1H3;/b4-2-;
InChIKeyZOHWUYSVWNKYRE-MKHFZPSSSA-N
MW217.63 g/mol
LogP1.58
Rot. Bonds1

About copper;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one

copper;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one (PubChem CID 58773962) has the molecular formula C5H5CuF3O2 and a molecular weight of 217.63 g/mol. Its IUPAC name is copper;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one.

Molecular Properties

Compound Namecopper;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one
PubChem CID58773962
Molecular FormulaC5H5CuF3O2
Molecular Weight217.63 g/mol
Exact Mass216.95
IUPAC Namecopper;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one
SMILESCC(=O)/C=C(\O)C(F)(F)F.[Cu]
InChIInChI=1S/C5H5F3O2.Cu/c1-3(9)2-4(10)5(6,7)8;/h2,10H,1H3;/b4-2-;
InChIKeyZOHWUYSVWNKYRE-MKHFZPSSSA-N
XLogP1.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

cerium;tetrakis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one)
CID 155886786
bis(iron(3+));tris(5,5,5-trifluoro-4-hydroxypent-3-en-2-one)
CID 170920124
iron;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one;bis((E)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one)
CID 159919059
cobalt;bis((Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one);hydrate
CID 54669728
copper;bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);dihydrate
CID 91927752
(Z)-5,5,6,6,7,7,7-heptafluoro-4-hydroxyhept-3-en-2-one
CID 12951193
2-hydroxycyclopenta-2,4-dien-1-one;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one
CID 123439542
cerium;(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-one
CID 156648922
tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);praseodymium
CID 6174066
tris(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);iron(3+)
CID 159734107
erbium;tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one)
CID 102601436
bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);nickel;hydrate
CID 118797553

Frequently Asked Questions

What is the IUPAC name of copper;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one?
The IUPAC name of copper;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one (CID 58773962) is copper;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one.
What is the SMILES notation for copper;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one?
The canonical SMILES for copper;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one is CC(=O)/C=C(\O)C(F)(F)F.[Cu].
What is the InChIKey of copper;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one?
The InChIKey is ZOHWUYSVWNKYRE-MKHFZPSSSA-N. The full InChI is InChI=1S/C5H5F3O2.Cu/c1-3(9)2-4(10)5(6,7)8;/h2,10H,1H3;/b4-2-;.
What are the key properties of copper;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one?
copper;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one has a molecular weight of 217.63 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one is sourced from PubChem (CID 58773962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).