strontium bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)

C10H2F12O4Sr — CID 132989327

IUPACstrontium bis(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.O=C(C=C([O-])C(F)(F)F)C(F)(F)F.[Sr+2]
InChIInChI=1S/2C5H2F6O2.Sr/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1,12H;/q;;+2/p-2
InChIKeyKEVXBFHXVKDJRZ-UHFFFAOYSA-L
MW501.72 g/mol
LogP1.47
Rot. Bonds2

About strontium bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)

strontium bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) (PubChem CID 132989327) has the molecular formula C10H2F12O4Sr and a molecular weight of 501.72 g/mol. Its IUPAC name is strontium bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate).

Molecular Properties

Compound Namestrontium bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
PubChem CID132989327
Molecular FormulaC10H2F12O4Sr
Molecular Weight501.72 g/mol
Exact Mass501.88
IUPAC Namestrontium bis(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.O=C(C=C([O-])C(F)(F)F)C(F)(F)F.[Sr+2]
InChIInChI=1S/2C5H2F6O2.Sr/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1,12H;/q;;+2/p-2
InChIKeyKEVXBFHXVKDJRZ-UHFFFAOYSA-L
XLogP1.47
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.72
LogP ≤ 51.47
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

cesium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate
CID 102602232
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
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 strontium bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)?
The IUPAC name of strontium bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) (CID 132989327) is strontium bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate).
What is the SMILES notation for strontium bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)?
The canonical SMILES for strontium bis(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.O=C(C=C([O-])C(F)(F)F)C(F)(F)F.[Sr+2].
What is the InChIKey of strontium bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)?
The InChIKey is KEVXBFHXVKDJRZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H2F6O2.Sr/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1,12H;/q;;+2/p-2.
What are the key properties of strontium bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)?
strontium bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) has a molecular weight of 501.72 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for strontium bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) is sourced from PubChem (CID 132989327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).