cobalt;bis((Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one);hydrate

C10H12CoF6O5 — CID 54669728

IUPACcobalt;bis((Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one);hydrate
SMILESCC(=O)/C=C(\O)C(F)(F)F.CC(=O)/C=C(\O)C(F)(F)F.O.[Co]
InChIInChI=1S/2C5H5F3O2.Co.H2O/c2*1-3(9)2-4(10)5(6,7)8;;/h2*2,10H,1H3;;1H2/b2*4-2-;;
InChIKeyISMLNACOADVXPD-PWODJZQNSA-N
MW385.12 g/mol
LogP2.33
Rot. Bonds2

About cobalt;bis((Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one);hydrate

cobalt;bis((Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one);hydrate (PubChem CID 54669728) has the molecular formula C10H12CoF6O5 and a molecular weight of 385.12 g/mol. Its IUPAC name is cobalt;bis((Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one);hydrate.

Molecular Properties

Compound Namecobalt;bis((Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one);hydrate
PubChem CID54669728
Molecular FormulaC10H12CoF6O5
Molecular Weight385.12 g/mol
Exact Mass384.99
IUPAC Namecobalt;bis((Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one);hydrate
SMILESCC(=O)/C=C(\O)C(F)(F)F.CC(=O)/C=C(\O)C(F)(F)F.O.[Co]
InChIInChI=1S/2C5H5F3O2.Co.H2O/c2*1-3(9)2-4(10)5(6,7)8;;/h2*2,10H,1H3;;1H2/b2*4-2-;;
InChIKeyISMLNACOADVXPD-PWODJZQNSA-N
XLogP2.33
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.12
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
copper;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one
CID 58773962
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
tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);ytterbium;dihydrate
CID 138375745
copper;bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);dihydrate
CID 91927752
tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);yttrium;hydrate
CID 22836400
bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);nickel;hydrate
CID 118797553
(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

Frequently Asked Questions

What is the IUPAC name of cobalt;bis((Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one);hydrate?
The IUPAC name of cobalt;bis((Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one);hydrate (CID 54669728) is cobalt;bis((Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one);hydrate.
What is the SMILES notation for cobalt;bis((Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one);hydrate?
The canonical SMILES for cobalt;bis((Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one);hydrate is CC(=O)/C=C(\O)C(F)(F)F.CC(=O)/C=C(\O)C(F)(F)F.O.[Co].
What is the InChIKey of cobalt;bis((Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one);hydrate?
The InChIKey is ISMLNACOADVXPD-PWODJZQNSA-N. The full InChI is InChI=1S/2C5H5F3O2.Co.H2O/c2*1-3(9)2-4(10)5(6,7)8;;/h2*2,10H,1H3;;1H2/b2*4-2-;;.
What are the key properties of cobalt;bis((Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one);hydrate?
cobalt;bis((Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one);hydrate has a molecular weight of 385.12 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis((Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one);hydrate is sourced from PubChem (CID 54669728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).