ruthenium(3+);tris(4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione)

C24H12F9O9Ru — CID 11979475

IUPACruthenium(3+);tris(4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione)
SMILESO=C([CH-]C(=O)C(F)(F)F)c1ccco1.O=C([CH-]C(=O)C(F)(F)F)c1ccco1.O=C([CH-]C(=O)C(F)(F)F)c1ccco1.[Ru+3]
InChIInChI=1S/3C8H4F3O3.Ru/c3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h3*1-4H;/q3*-1;+3
InChIKeyHTQXXDPXCVQREM-UHFFFAOYSA-N
MW716.40 g/mol
LogP5.39
Rot. Bonds9

About ruthenium(3+);tris(4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione)

ruthenium(3+);tris(4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione) (PubChem CID 11979475) has the molecular formula C24H12F9O9Ru and a molecular weight of 716.40 g/mol. Its IUPAC name is ruthenium(3+);tris(4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione).

Molecular Properties

Compound Nameruthenium(3+);tris(4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione)
PubChem CID11979475
Molecular FormulaC24H12F9O9Ru
Molecular Weight716.40 g/mol
Exact Mass716.94
IUPAC Nameruthenium(3+);tris(4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione)
SMILESO=C([CH-]C(=O)C(F)(F)F)c1ccco1.O=C([CH-]C(=O)C(F)(F)F)c1ccco1.O=C([CH-]C(=O)C(F)(F)F)c1ccco1.[Ru+3]
InChIInChI=1S/3C8H4F3O3.Ru/c3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h3*1-4H;/q3*-1;+3
InChIKeyHTQXXDPXCVQREM-UHFFFAOYSA-N
XLogP5.39
TPSA141.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.40
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze ruthenium(3+);tris(4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione) with MolForge

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Related Compounds

CID 131873391
CID 131873391
2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one
CID 130561931
(2,2,2-trifluoroacetyl) furan-2-carboxylate
CID 91700684
(furan-2-carbonylamino) 2,2,2-trifluoroacetate
CID 141040971
furan-2-carboximidamide;2,2,2-trifluoroacetic acid
CID 157143973
4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 90929550
(NZ)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethylidene]hydroxylamine
CID 11298289
furan-2-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105099254
furan-2-carboxylic acid;gold
CID 174701575
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;silver
CID 87285311
furan-2-yl(phosphanyl)methanone
CID 151549332

Frequently Asked Questions

What is the IUPAC name of ruthenium(3+);tris(4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione)?
The IUPAC name of ruthenium(3+);tris(4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione) (CID 11979475) is ruthenium(3+);tris(4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione).
What is the SMILES notation for ruthenium(3+);tris(4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione)?
The canonical SMILES for ruthenium(3+);tris(4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione) is O=C([CH-]C(=O)C(F)(F)F)c1ccco1.O=C([CH-]C(=O)C(F)(F)F)c1ccco1.O=C([CH-]C(=O)C(F)(F)F)c1ccco1.[Ru+3].
What is the InChIKey of ruthenium(3+);tris(4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione)?
The InChIKey is HTQXXDPXCVQREM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H4F3O3.Ru/c3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h3*1-4H;/q3*-1;+3.
What are the key properties of ruthenium(3+);tris(4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione)?
ruthenium(3+);tris(4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione) has a molecular weight of 716.40 g/mol, XLogP of 5.39, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ruthenium(3+);tris(4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione) is sourced from PubChem (CID 11979475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).