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

C10Co2F6O6 — CID 10983186

IUPACcarbon monoxide;cobalt;1,1,1,4,4,4-hexafluorobut-2-yne
SMILESFC(F)(F)C#CC(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C4F6.6CO.2Co/c5-3(6,7)1-2-4(8,9)10;6*1-2;;
InChIKeyRCQGSNCCEYTRSR-UHFFFAOYSA-N
MW447.96 g/mol
LogP1.88
Rot. Bonds

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

carbon monoxide;cobalt;1,1,1,4,4,4-hexafluorobut-2-yne (PubChem CID 10983186) has the molecular formula C10Co2F6O6 and a molecular weight of 447.96 g/mol. Its IUPAC name is carbon monoxide;cobalt;1,1,1,4,4,4-hexafluorobut-2-yne.

Molecular Properties

Compound Namecarbon monoxide;cobalt;1,1,1,4,4,4-hexafluorobut-2-yne
PubChem CID10983186
Molecular FormulaC10Co2F6O6
Molecular Weight447.96 g/mol
Exact Mass447.83
IUPAC Namecarbon monoxide;cobalt;1,1,1,4,4,4-hexafluorobut-2-yne
SMILESFC(F)(F)C#CC(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C4F6.6CO.2Co/c5-3(6,7)1-2-4(8,9)10;6*1-2;;
InChIKeyRCQGSNCCEYTRSR-UHFFFAOYSA-N
XLogP1.88
TPSA119.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.96
LogP ≤ 51.88
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;cobalt;1,1,1,4,4,4-hexafluorobut-2-yne?
The IUPAC name of carbon monoxide;cobalt;1,1,1,4,4,4-hexafluorobut-2-yne (CID 10983186) is carbon monoxide;cobalt;1,1,1,4,4,4-hexafluorobut-2-yne.
What is the SMILES notation for carbon monoxide;cobalt;1,1,1,4,4,4-hexafluorobut-2-yne?
The canonical SMILES for carbon monoxide;cobalt;1,1,1,4,4,4-hexafluorobut-2-yne is FC(F)(F)C#CC(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].
What is the InChIKey of carbon monoxide;cobalt;1,1,1,4,4,4-hexafluorobut-2-yne?
The InChIKey is RCQGSNCCEYTRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F6.6CO.2Co/c5-3(6,7)1-2-4(8,9)10;6*1-2;;.
What are the key properties of carbon monoxide;cobalt;1,1,1,4,4,4-hexafluorobut-2-yne?
carbon monoxide;cobalt;1,1,1,4,4,4-hexafluorobut-2-yne has a molecular weight of 447.96 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cobalt;1,1,1,4,4,4-hexafluorobut-2-yne is sourced from PubChem (CID 10983186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).