4,4,5,5,6,6,6-heptafluoro-1-(furan-2-yl)hexane-1,3-dione;nickel

C10H5F7NiO3 — CID 54608465

IUPAC4,4,5,5,6,6,6-heptafluoro-1-(furan-2-yl)hexane-1,3-dione;nickel
SMILESO=C(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccco1.[Ni]
InChIInChI=1S/C10H5F7O3.Ni/c11-8(12,9(13,14)10(15,16)17)7(19)4-5(18)6-2-1-3-20-6;/h1-3H,4H2;
InChIKeyMAJHZKBVGZLXIR-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.25
Rot. Bonds5

About 4,4,5,5,6,6,6-heptafluoro-1-(furan-2-yl)hexane-1,3-dione;nickel

4,4,5,5,6,6,6-heptafluoro-1-(furan-2-yl)hexane-1,3-dione;nickel (PubChem CID 54608465) has the molecular formula C10H5F7NiO3 and a molecular weight of 364.83 g/mol. Its IUPAC name is 4,4,5,5,6,6,6-heptafluoro-1-(furan-2-yl)hexane-1,3-dione;nickel.

Molecular Properties

Compound Name4,4,5,5,6,6,6-heptafluoro-1-(furan-2-yl)hexane-1,3-dione;nickel
PubChem CID54608465
Molecular FormulaC10H5F7NiO3
Molecular Weight364.83 g/mol
Exact Mass363.95
IUPAC Name4,4,5,5,6,6,6-heptafluoro-1-(furan-2-yl)hexane-1,3-dione;nickel
SMILESO=C(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccco1.[Ni]
InChIInChI=1S/C10H5F7O3.Ni/c11-8(12,9(13,14)10(15,16)17)7(19)4-5(18)6-2-1-3-20-6;/h1-3H,4H2;
InChIKeyMAJHZKBVGZLXIR-UHFFFAOYSA-N
XLogP3.25
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 90929550
4,4-difluoro-1-(furan-2-yl)pentane-1,3-dione
CID 102033516
1-(furan-2-yl)-4-methoxy-4-methylpentane-1,3-dione
CID 165483416
4,4,4-trifluoro-1-(furan-2-yl)-3-iminobutan-1-one
CID 170314111
2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one
CID 130561931
ethane;1-(furan-2-yl)butane-1,3-dione
CID 145463409
calcium;1-(furan-2-yl)butane-1,3-dione;hydride
CID 173386868
1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 62875308
4,4,5,5,6,6,6-heptafluoro-1-naphthalen-2-ylhexane-1,3-dione
CID 86004327
1-cyclopropyl-3-(furan-2-yl)propane-1,3-dione
CID 43138918
N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-carboxamide
CID 21204899
1-(furan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60892744

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,6-heptafluoro-1-(furan-2-yl)hexane-1,3-dione;nickel?
The IUPAC name of 4,4,5,5,6,6,6-heptafluoro-1-(furan-2-yl)hexane-1,3-dione;nickel (CID 54608465) is 4,4,5,5,6,6,6-heptafluoro-1-(furan-2-yl)hexane-1,3-dione;nickel.
What is the SMILES notation for 4,4,5,5,6,6,6-heptafluoro-1-(furan-2-yl)hexane-1,3-dione;nickel?
The canonical SMILES for 4,4,5,5,6,6,6-heptafluoro-1-(furan-2-yl)hexane-1,3-dione;nickel is O=C(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccco1.[Ni].
What is the InChIKey of 4,4,5,5,6,6,6-heptafluoro-1-(furan-2-yl)hexane-1,3-dione;nickel?
The InChIKey is MAJHZKBVGZLXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F7O3.Ni/c11-8(12,9(13,14)10(15,16)17)7(19)4-5(18)6-2-1-3-20-6;/h1-3H,4H2;.
What are the key properties of 4,4,5,5,6,6,6-heptafluoro-1-(furan-2-yl)hexane-1,3-dione;nickel?
4,4,5,5,6,6,6-heptafluoro-1-(furan-2-yl)hexane-1,3-dione;nickel has a molecular weight of 364.83 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,6-heptafluoro-1-(furan-2-yl)hexane-1,3-dione;nickel is sourced from PubChem (CID 54608465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).