cesium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate

C5HCsF6O2 — CID 102602232

IUPACcesium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate
SMILESO=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Cs+]
InChIInChI=1S/C5H2F6O2.Cs/c6-4(7,8)2(12)1-3(13)5(9,10)11;/h1,12H;/q;+1/p-1/b2-1-;
InChIKeyBYKPOHDAXNBRPJ-ODZAUARKSA-M
MW339.95 g/mol
LogP-2.07
Rot. Bonds1

About cesium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate

cesium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate (PubChem CID 102602232) has the molecular formula C5HCsF6O2 and a molecular weight of 339.95 g/mol. Its IUPAC name is cesium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate.

Molecular Properties

Compound Namecesium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate
PubChem CID102602232
Molecular FormulaC5HCsF6O2
Molecular Weight339.95 g/mol
Exact Mass339.89
IUPAC Namecesium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate
SMILESO=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Cs+]
InChIInChI=1S/C5H2F6O2.Cs/c6-4(7,8)2(12)1-3(13)5(9,10)11;/h1,12H;/q;+1/p-1/b2-1-;
InChIKeyBYKPOHDAXNBRPJ-ODZAUARKSA-M
XLogP-2.07
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.95
LogP ≤ 5-2.07
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of cesium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate?
The IUPAC name of cesium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate (CID 102602232) is cesium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate.
What is the SMILES notation for cesium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate?
The canonical SMILES for cesium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate is O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Cs+].
What is the InChIKey of cesium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate?
The InChIKey is BYKPOHDAXNBRPJ-ODZAUARKSA-M. The full InChI is InChI=1S/C5H2F6O2.Cs/c6-4(7,8)2(12)1-3(13)5(9,10)11;/h1,12H;/q;+1/p-1/b2-1-;.
What are the key properties of cesium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate?
cesium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate has a molecular weight of 339.95 g/mol, XLogP of -2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cesium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate is sourced from PubChem (CID 102602232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).