carbon monoxide;cyclopenta-1,3-diene;2,2,3,3,4,4,4-heptafluorobutan-1-one;tungsten

C12H5F7O4W-2 — CID 11986314

IUPACcarbon monoxide;cyclopenta-1,3-diene;2,2,3,3,4,4,4-heptafluorobutan-1-one;tungsten
SMILESO=[C-]C(F)(F)C(F)(F)C(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[W].c1cc[cH-]c1
InChIInChI=1S/C5H5.C4F7O.3CO.W/c1-2-4-5-3-1;5-2(6,1-12)3(7,8)4(9,10)11;3*1-2;/h1-5H;;;;;/q2*-1;;;;
InChIKeyUCPGDMAUBKRRQQ-UHFFFAOYSA-N
MW529.99 g/mol
LogP3.22
Rot. Bonds2

About carbon monoxide;cyclopenta-1,3-diene;2,2,3,3,4,4,4-heptafluorobutan-1-one;tungsten

carbon monoxide;cyclopenta-1,3-diene;2,2,3,3,4,4,4-heptafluorobutan-1-one;tungsten (PubChem CID 11986314) has the molecular formula C12H5F7O4W-2 and a molecular weight of 529.99 g/mol. Its IUPAC name is carbon monoxide;cyclopenta-1,3-diene;2,2,3,3,4,4,4-heptafluorobutan-1-one;tungsten.

Molecular Properties

Compound Namecarbon monoxide;cyclopenta-1,3-diene;2,2,3,3,4,4,4-heptafluorobutan-1-one;tungsten
PubChem CID11986314
Molecular FormulaC12H5F7O4W-2
Molecular Weight529.99 g/mol
Exact Mass529.96
IUPAC Namecarbon monoxide;cyclopenta-1,3-diene;2,2,3,3,4,4,4-heptafluorobutan-1-one;tungsten
SMILESO=[C-]C(F)(F)C(F)(F)C(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[W].c1cc[cH-]c1
InChIInChI=1S/C5H5.C4F7O.3CO.W/c1-2-4-5-3-1;5-2(6,1-12)3(7,8)4(9,10)11;3*1-2;/h1-5H;;;;;/q2*-1;;;;
InChIKeyUCPGDMAUBKRRQQ-UHFFFAOYSA-N
XLogP3.22
TPSA76.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.99
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

carbon monoxide;cyclopenta-1,3-diene;iron(6+);2,2,3,3,3-pentafluoropropan-1-one
CID 11986335
carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+)
CID 42615928
carbon monoxide;cyclopenta-1,3-diene;rhodium
CID 12785578
carbon monoxide;cyclopenta-1,3-diene;iron(6+);phenylmethanone
CID 11986665
bis(cyclopenta-1,3-diene);iron;iron(2+)
CID 160503469
carbon monoxide;cyclopenta-1,3-diene;manganese;methylsulfinylmethane
CID 172991230
carbon monoxide;cyclopenta-1,3-diene;iron(6+);3,3,3-trifluoroprop-1-ene
CID 11986424
cyclopenta-1,3-diene;iron;hexafluorophosphate
CID 175093533
bis(cyclopenta-1,3-diene);uranium(2+)
CID 154419061
bis(cyclopenta-1,3-diene);nickel
CID 25199994
bis(cyclopenta-1,3-diene);iron(4+);methanone
CID 174626871
cyclopenta-1,3-diene;cyclopentane;iron;hydrofluoride
CID 175426110

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cyclopenta-1,3-diene;2,2,3,3,4,4,4-heptafluorobutan-1-one;tungsten?
The IUPAC name of carbon monoxide;cyclopenta-1,3-diene;2,2,3,3,4,4,4-heptafluorobutan-1-one;tungsten (CID 11986314) is carbon monoxide;cyclopenta-1,3-diene;2,2,3,3,4,4,4-heptafluorobutan-1-one;tungsten.
What is the SMILES notation for carbon monoxide;cyclopenta-1,3-diene;2,2,3,3,4,4,4-heptafluorobutan-1-one;tungsten?
The canonical SMILES for carbon monoxide;cyclopenta-1,3-diene;2,2,3,3,4,4,4-heptafluorobutan-1-one;tungsten is O=[C-]C(F)(F)C(F)(F)C(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[W].c1cc[cH-]c1.
What is the InChIKey of carbon monoxide;cyclopenta-1,3-diene;2,2,3,3,4,4,4-heptafluorobutan-1-one;tungsten?
The InChIKey is UCPGDMAUBKRRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C4F7O.3CO.W/c1-2-4-5-3-1;5-2(6,1-12)3(7,8)4(9,10)11;3*1-2;/h1-5H;;;;;/q2*-1;;;;.
What are the key properties of carbon monoxide;cyclopenta-1,3-diene;2,2,3,3,4,4,4-heptafluorobutan-1-one;tungsten?
carbon monoxide;cyclopenta-1,3-diene;2,2,3,3,4,4,4-heptafluorobutan-1-one;tungsten has a molecular weight of 529.99 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cyclopenta-1,3-diene;2,2,3,3,4,4,4-heptafluorobutan-1-one;tungsten is sourced from PubChem (CID 11986314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).