strontium bis(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione)

C20H22F14O4Sr+2 — CID 138395037

IUPACstrontium bis(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione)
SMILESCC(C)(C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F.[Sr+2]
InChIInChI=1S/2C10H11F7O2.Sr/c2*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h2*4H2,1-3H3;/q;;+2
InChIKeyIDISKCPCZUBKJW-UHFFFAOYSA-N
MW679.98 g/mol
LogP6.41
Rot. Bonds8

About strontium bis(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione)

strontium bis(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione) (PubChem CID 138395037) has the molecular formula C20H22F14O4Sr+2 and a molecular weight of 679.98 g/mol. Its IUPAC name is strontium bis(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione).

Molecular Properties

Compound Namestrontium bis(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione)
PubChem CID138395037
Molecular FormulaC20H22F14O4Sr+2
Molecular Weight679.98 g/mol
Exact Mass680.03
IUPAC Namestrontium bis(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione)
SMILESCC(C)(C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F.[Sr+2]
InChIInChI=1S/2C10H11F7O2.Sr/c2*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h2*4H2,1-3H3;/q;;+2
InChIKeyIDISKCPCZUBKJW-UHFFFAOYSA-N
XLogP6.41
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.98
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1,2,2,6,6,7,7,7-decafluoroheptane-3,5-dione;6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione
CID 162074940
1,1,1,2,2,3,3,7,7,8,8,9,9,9-tetradecafluorononane-4,6-dione
CID 617328
calcium 2,2,6,6-tetramethylheptane-3,5-dione
CID 21192278
praseodymium;2,2,6,6-tetramethylheptane-3,5-dione
CID 139531007
oxovanadium;bis(2,2,6,6-tetramethylheptane-3,5-dione)
CID 88830247
calcium;hydride;2,2,6,6-tetramethylheptane-3,5-dione
CID 173276240
lithium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethoxy-3,5-dioxooctanoate
CID 169006335
1,1,1,2,2,3,3-heptafluoro-6-hydroxy-7,7-dimethyloctan-4-one
CID 13429305
(5R)-6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloctan-3-one
CID 177455114
tris(2-methanidyl-2,6,6-trimethylheptane-3,5-dione);neodymium(3+)
CID 174851540
tris(2-methanidyl-2,6,6-trimethylheptane-3,5-dione);ytterbium(3+)
CID 175018021
iridium(3+);tris(2-methanidyl-2,6,6-trimethylheptane-3,5-dione)
CID 174840957

Frequently Asked Questions

What is the IUPAC name of strontium bis(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione)?
The IUPAC name of strontium bis(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione) (CID 138395037) is strontium bis(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione).
What is the SMILES notation for strontium bis(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione)?
The canonical SMILES for strontium bis(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione) is CC(C)(C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F.[Sr+2].
What is the InChIKey of strontium bis(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione)?
The InChIKey is IDISKCPCZUBKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H11F7O2.Sr/c2*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h2*4H2,1-3H3;/q;;+2.
What are the key properties of strontium bis(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione)?
strontium bis(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione) has a molecular weight of 679.98 g/mol, XLogP of 6.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for strontium bis(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione) is sourced from PubChem (CID 138395037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).