magnesium (E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate

C5H4F3MgO2+ — CID 44717569

IUPACmagnesium (E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
SMILESCC(=O)/C=C(/[O-])C(F)(F)F.[Mg+2]
InChIInChI=1S/C5H5F3O2.Mg/c1-3(9)2-4(10)5(6,7)8;/h2,10H,1H3;/q;+2/p-1/b4-2+;
InChIKeyOZZKEAYTJLNIAW-VEELZWTKSA-M
MW177.38 g/mol
LogP0.00
Rot. Bonds1

About magnesium (E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate

magnesium (E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate (PubChem CID 44717569) has the molecular formula C5H4F3MgO2+ and a molecular weight of 177.38 g/mol. Its IUPAC name is magnesium (E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate.

Molecular Properties

Compound Namemagnesium (E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
PubChem CID44717569
Molecular FormulaC5H4F3MgO2+
Molecular Weight177.38 g/mol
Exact Mass177.00
IUPAC Namemagnesium (E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
SMILESCC(=O)/C=C(/[O-])C(F)(F)F.[Mg+2]
InChIInChI=1S/C5H5F3O2.Mg/c1-3(9)2-4(10)5(6,7)8;/h2,10H,1H3;/q;+2/p-1/b4-2+;
InChIKeyOZZKEAYTJLNIAW-VEELZWTKSA-M
XLogP0.00
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.38
LogP ≤ 50.00
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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Related Compounds

magnesium;bis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate);dihydrate
CID 56776511
praseodymium(3+);1,1,1-trifluoro-4-oxopent-2-en-2-olate
CID 53395449
indium(3+);tris(1,1,1-trifluoro-4-oxopent-2-en-2-olate)
CID 2775146
samarium(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
CID 15242750
dilithium;(2Z,5Z)-1,1,1,7,7,7-hexafluoro-4-oxohepta-2,5-diene-2,6-diolate
CID 91926473
CID 170997456
CID 170997456
cesium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate
CID 102602232
strontium bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
CID 132989327
cobalt(3+);tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
CID 175687596
CID 170999876
CID 170999876
(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;(E)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;manganese(2+)
CID 50909026
bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);molybdenum(2+);dihydrate
CID 175688119

Frequently Asked Questions

What is the IUPAC name of magnesium (E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate?
The IUPAC name of magnesium (E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate (CID 44717569) is magnesium (E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate.
What is the SMILES notation for magnesium (E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate?
The canonical SMILES for magnesium (E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate is CC(=O)/C=C(/[O-])C(F)(F)F.[Mg+2].
What is the InChIKey of magnesium (E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate?
The InChIKey is OZZKEAYTJLNIAW-VEELZWTKSA-M. The full InChI is InChI=1S/C5H5F3O2.Mg/c1-3(9)2-4(10)5(6,7)8;/h2,10H,1H3;/q;+2/p-1/b4-2+;.
What are the key properties of magnesium (E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate?
magnesium (E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate has a molecular weight of 177.38 g/mol, XLogP of 0.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium (E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate is sourced from PubChem (CID 44717569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).