carbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;ruthenium

C8F6O4Ru — CID 134981239

IUPACcarbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;ruthenium
SMILESFC(F)(F)C#CC(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ru]
InChIInChI=1S/C4F6.4CO.Ru/c5-3(6,7)1-2-4(8,9)10;4*1-2;
InChIKeyRWDXIVBELLKNTI-UHFFFAOYSA-N
MW375.14 g/mol
LogP1.96
Rot. Bonds

About carbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;ruthenium

carbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;ruthenium (PubChem CID 134981239) has the molecular formula C8F6O4Ru and a molecular weight of 375.14 g/mol. Its IUPAC name is carbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;ruthenium.

Molecular Properties

Compound Namecarbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;ruthenium
PubChem CID134981239
Molecular FormulaC8F6O4Ru
Molecular Weight375.14 g/mol
Exact Mass375.87
IUPAC Namecarbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;ruthenium
SMILESFC(F)(F)C#CC(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ru]
InChIInChI=1S/C4F6.4CO.Ru/c5-3(6,7)1-2-4(8,9)10;4*1-2;
InChIKeyRWDXIVBELLKNTI-UHFFFAOYSA-N
XLogP1.96
TPSA79.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.14
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;ruthenium?
The IUPAC name of carbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;ruthenium (CID 134981239) is carbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;ruthenium.
What is the SMILES notation for carbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;ruthenium?
The canonical SMILES for carbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;ruthenium is FC(F)(F)C#CC(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ru].
What is the InChIKey of carbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;ruthenium?
The InChIKey is RWDXIVBELLKNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F6.4CO.Ru/c5-3(6,7)1-2-4(8,9)10;4*1-2;.
What are the key properties of carbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;ruthenium?
carbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;ruthenium has a molecular weight of 375.14 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;ruthenium is sourced from PubChem (CID 134981239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).