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

C8F6FeO4 — CID 11088808

IUPACcarbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;iron
SMILESFC(F)(F)C#CC(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C4F6.4CO.Fe/c5-3(6,7)1-2-4(8,9)10;4*1-2;
InChIKeyUDQIGQJAQHZKIR-UHFFFAOYSA-N
MW329.92 g/mol
LogP1.96
Rot. Bonds

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

carbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;iron (PubChem CID 11088808) has the molecular formula C8F6FeO4 and a molecular weight of 329.92 g/mol. Its IUPAC name is carbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;iron.

Molecular Properties

Compound Namecarbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;iron
PubChem CID11088808
Molecular FormulaC8F6FeO4
Molecular Weight329.92 g/mol
Exact Mass329.91
IUPAC Namecarbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;iron
SMILESFC(F)(F)C#CC(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C4F6.4CO.Fe/c5-3(6,7)1-2-4(8,9)10;4*1-2;
InChIKeyUDQIGQJAQHZKIR-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 ≤ 500329.92
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': 'heavy_metal', '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;iron?
The IUPAC name of carbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;iron (CID 11088808) is carbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;iron.
What is the SMILES notation for carbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;iron?
The canonical SMILES for carbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;iron is FC(F)(F)C#CC(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].
What is the InChIKey of carbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;iron?
The InChIKey is UDQIGQJAQHZKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F6.4CO.Fe/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;iron?
carbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;iron has a molecular weight of 329.92 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;iron is sourced from PubChem (CID 11088808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).