(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+)

C10H2F12MnO4 — CID 50909026

IUPAC(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+)
SMILESO=C(/C=C(/[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Mn+2]
InChIInChI=1S/2C5H2F6O2.Mn/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1,12H;/q;;+2/p-2/b2-1+;2-1-;
InChIKeyCFMUSUSAXOVNOD-OZOHXUEYSA-L
MW469.04 g/mol
LogP1.85
Rot. Bonds2

About (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+)

(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+) (PubChem CID 50909026) has the molecular formula C10H2F12MnO4 and a molecular weight of 469.04 g/mol. Its IUPAC name is (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+).

Molecular Properties

Compound Name(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+)
PubChem CID50909026
Molecular FormulaC10H2F12MnO4
Molecular Weight469.04 g/mol
Exact Mass468.91
IUPAC Name(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+)
SMILESO=C(/C=C(/[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Mn+2]
InChIInChI=1S/2C5H2F6O2.Mn/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1,12H;/q;;+2/p-2/b2-1+;2-1-;
InChIKeyCFMUSUSAXOVNOD-OZOHXUEYSA-L
XLogP1.85
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.04
LogP ≤ 51.85
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'}

Analyze (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+) with MolForge

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Related Compounds

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
CID 170999876
CID 170999876
cobalt(3+);tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
CID 175687596
CID 170997456
CID 170997456
oxidanium;copper(1+);bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
CID 139133359
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
copper(1+);ethenyl(trimethyl)silane;(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate
CID 165360048
dilithium;(2Z,5Z)-1,1,1,7,7,7-hexafluoro-4-oxohepta-2,5-diene-2,6-diolate
CID 91926473
magnesium (E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
CID 44717569
indium(3+);tris(1,1,1-trifluoro-4-oxopent-2-en-2-olate)
CID 2775146

Frequently Asked Questions

What is the IUPAC name of (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+)?
The IUPAC name of (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) is (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+).
What is the SMILES notation for (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+)?
The canonical SMILES for (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+) is O=C(/C=C(/[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Mn+2].
What is the InChIKey of (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+)?
The InChIKey is CFMUSUSAXOVNOD-OZOHXUEYSA-L. The full InChI is InChI=1S/2C5H2F6O2.Mn/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1,12H;/q;;+2/p-2/b2-1+;2-1-;.
What are the key properties of (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+)?
(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+) has a molecular weight of 469.04 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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+) is sourced from PubChem (CID 50909026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).