magnesium;bis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate);dihydrate

C10H12F6MgO6 — CID 56776511

IUPACmagnesium;bis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate);dihydrate
SMILESCC(=O)/C=C(\[O-])C(F)(F)F.CC(=O)/C=C(\[O-])C(F)(F)F.O.O.[Mg+2]
InChIInChI=1S/2C5H5F3O2.Mg.2H2O/c2*1-3(9)2-4(10)5(6,7)8;;;/h2*2,10H,1H3;;2*1H2/q;;+2;;/p-2/b2*4-2-;;;
InChIKeyZPYAMCPMUUCLPT-NFZBZNCTSA-L
MW366.49 g/mol
LogP-1.27
Rot. Bonds2

About magnesium;bis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate);dihydrate

magnesium;bis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate);dihydrate (PubChem CID 56776511) has the molecular formula C10H12F6MgO6 and a molecular weight of 366.49 g/mol. Its IUPAC name is magnesium;bis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate);dihydrate.

Molecular Properties

Compound Namemagnesium;bis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate);dihydrate
PubChem CID56776511
Molecular FormulaC10H12F6MgO6
Molecular Weight366.49 g/mol
Exact Mass366.04
IUPAC Namemagnesium;bis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate);dihydrate
SMILESCC(=O)/C=C(\[O-])C(F)(F)F.CC(=O)/C=C(\[O-])C(F)(F)F.O.O.[Mg+2]
InChIInChI=1S/2C5H5F3O2.Mg.2H2O/c2*1-3(9)2-4(10)5(6,7)8;;;/h2*2,10H,1H3;;2*1H2/q;;+2;;/p-2/b2*4-2-;;;
InChIKeyZPYAMCPMUUCLPT-NFZBZNCTSA-L
XLogP-1.27
TPSA143.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 5-1.27
H-Bond Donors ≤ 50
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

magnesium (E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
CID 44717569
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
calcium;(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;hydrate
CID 44717257
bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);molybdenum(2+);dihydrate
CID 175688119
dilithium;(2Z,5Z)-1,1,1,7,7,7-hexafluoro-4-oxohepta-2,5-diene-2,6-diolate
CID 91926473
magnesium;bis((Z)-4-oxopent-2-en-2-olate);hydrate
CID 133109982
(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
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

Frequently Asked Questions

What is the IUPAC name of magnesium;bis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate);dihydrate?
The IUPAC name of magnesium;bis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate);dihydrate (CID 56776511) is magnesium;bis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate);dihydrate.
What is the SMILES notation for magnesium;bis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate);dihydrate?
The canonical SMILES for magnesium;bis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate);dihydrate is CC(=O)/C=C(\[O-])C(F)(F)F.CC(=O)/C=C(\[O-])C(F)(F)F.O.O.[Mg+2].
What is the InChIKey of magnesium;bis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate);dihydrate?
The InChIKey is ZPYAMCPMUUCLPT-NFZBZNCTSA-L. The full InChI is InChI=1S/2C5H5F3O2.Mg.2H2O/c2*1-3(9)2-4(10)5(6,7)8;;;/h2*2,10H,1H3;;2*1H2/q;;+2;;/p-2/b2*4-2-;;;.
What are the key properties of magnesium;bis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate);dihydrate?
magnesium;bis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate);dihydrate has a molecular weight of 366.49 g/mol, XLogP of -1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;bis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate);dihydrate is sourced from PubChem (CID 56776511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).