dilithium;(2Z,5Z)-1,1,1,7,7,7-hexafluoro-4-oxohepta-2,5-diene-2,6-diolate

C7H2F6Li2O3 — CID 91926473

IUPACdilithium;(2Z,5Z)-1,1,1,7,7,7-hexafluoro-4-oxohepta-2,5-diene-2,6-diolate
SMILESO=C(/C=C(\[O-])C(F)(F)F)/C=C(\[O-])C(F)(F)F.[Li+].[Li+]
InChIInChI=1S/C7H4F6O3.2Li/c8-6(9,10)4(15)1-3(14)2-5(16)7(11,12)13;;/h1-2,15-16H;;/q;2*+1/p-2/b4-1-,5-2-;;
InChIKeyYHHYLRLBAWWZRR-DBBVHVSXSA-L
MW261.96 g/mol
LogP-5.82
Rot. Bonds2

About dilithium;(2Z,5Z)-1,1,1,7,7,7-hexafluoro-4-oxohepta-2,5-diene-2,6-diolate

dilithium;(2Z,5Z)-1,1,1,7,7,7-hexafluoro-4-oxohepta-2,5-diene-2,6-diolate (PubChem CID 91926473) has the molecular formula C7H2F6Li2O3 and a molecular weight of 261.96 g/mol. Its IUPAC name is dilithium;(2Z,5Z)-1,1,1,7,7,7-hexafluoro-4-oxohepta-2,5-diene-2,6-diolate.

Molecular Properties

Compound Namedilithium;(2Z,5Z)-1,1,1,7,7,7-hexafluoro-4-oxohepta-2,5-diene-2,6-diolate
PubChem CID91926473
Molecular FormulaC7H2F6Li2O3
Molecular Weight261.96 g/mol
Exact Mass262.02
IUPAC Namedilithium;(2Z,5Z)-1,1,1,7,7,7-hexafluoro-4-oxohepta-2,5-diene-2,6-diolate
SMILESO=C(/C=C(\[O-])C(F)(F)F)/C=C(\[O-])C(F)(F)F.[Li+].[Li+]
InChIInChI=1S/C7H4F6O3.2Li/c8-6(9,10)4(15)1-3(14)2-5(16)7(11,12)13;;/h1-2,15-16H;;/q;2*+1/p-2/b4-1-,5-2-;;
InChIKeyYHHYLRLBAWWZRR-DBBVHVSXSA-L
XLogP-5.82
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.96
LogP ≤ 5-5.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze dilithium;(2Z,5Z)-1,1,1,7,7,7-hexafluoro-4-oxohepta-2,5-diene-2,6-diolate 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
(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
samarium(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
CID 15242750
indium(3+);tris(1,1,1-trifluoro-4-oxopent-2-en-2-olate)
CID 2775146
oxidanium;copper(1+);bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
CID 139133359
magnesium (E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
CID 44717569
calcium;(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;hydrate
CID 44717257
praseodymium(3+);1,1,1-trifluoro-4-oxopent-2-en-2-olate
CID 53395449

Frequently Asked Questions

What is the IUPAC name of dilithium;(2Z,5Z)-1,1,1,7,7,7-hexafluoro-4-oxohepta-2,5-diene-2,6-diolate?
The IUPAC name of dilithium;(2Z,5Z)-1,1,1,7,7,7-hexafluoro-4-oxohepta-2,5-diene-2,6-diolate (CID 91926473) is dilithium;(2Z,5Z)-1,1,1,7,7,7-hexafluoro-4-oxohepta-2,5-diene-2,6-diolate.
What is the SMILES notation for dilithium;(2Z,5Z)-1,1,1,7,7,7-hexafluoro-4-oxohepta-2,5-diene-2,6-diolate?
The canonical SMILES for dilithium;(2Z,5Z)-1,1,1,7,7,7-hexafluoro-4-oxohepta-2,5-diene-2,6-diolate is O=C(/C=C(\[O-])C(F)(F)F)/C=C(\[O-])C(F)(F)F.[Li+].[Li+].
What is the InChIKey of dilithium;(2Z,5Z)-1,1,1,7,7,7-hexafluoro-4-oxohepta-2,5-diene-2,6-diolate?
The InChIKey is YHHYLRLBAWWZRR-DBBVHVSXSA-L. The full InChI is InChI=1S/C7H4F6O3.2Li/c8-6(9,10)4(15)1-3(14)2-5(16)7(11,12)13;;/h1-2,15-16H;;/q;2*+1/p-2/b4-1-,5-2-;;.
What are the key properties of dilithium;(2Z,5Z)-1,1,1,7,7,7-hexafluoro-4-oxohepta-2,5-diene-2,6-diolate?
dilithium;(2Z,5Z)-1,1,1,7,7,7-hexafluoro-4-oxohepta-2,5-diene-2,6-diolate has a molecular weight of 261.96 g/mol, XLogP of -5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;(2Z,5Z)-1,1,1,7,7,7-hexafluoro-4-oxohepta-2,5-diene-2,6-diolate is sourced from PubChem (CID 91926473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).