formaldehyde;1,1,1,4,4,4-hexafluorobut-2-yne;palladium

C6H4F6O2Pd — CID 173175881

IUPACformaldehyde;1,1,1,4,4,4-hexafluorobut-2-yne;palladium
SMILESC=O.C=O.FC(F)(F)C#CC(F)(F)F.[Pd]
InChIInChI=1S/C4F6.2CH2O.Pd/c5-3(6,7)1-2-4(8,9)10;2*1-2;/h;2*1H2;
InChIKeyKIINCZDNOFYLDA-UHFFFAOYSA-N
MW328.50 g/mol
LogP1.74
Rot. Bonds

About formaldehyde;1,1,1,4,4,4-hexafluorobut-2-yne;palladium

formaldehyde;1,1,1,4,4,4-hexafluorobut-2-yne;palladium (PubChem CID 173175881) has the molecular formula C6H4F6O2Pd and a molecular weight of 328.50 g/mol. Its IUPAC name is formaldehyde;1,1,1,4,4,4-hexafluorobut-2-yne;palladium.

Molecular Properties

Compound Nameformaldehyde;1,1,1,4,4,4-hexafluorobut-2-yne;palladium
PubChem CID173175881
Molecular FormulaC6H4F6O2Pd
Molecular Weight328.50 g/mol
Exact Mass327.92
IUPAC Nameformaldehyde;1,1,1,4,4,4-hexafluorobut-2-yne;palladium
SMILESC=O.C=O.FC(F)(F)C#CC(F)(F)F.[Pd]
InChIInChI=1S/C4F6.2CH2O.Pd/c5-3(6,7)1-2-4(8,9)10;2*1-2;/h;2*1H2;
InChIKeyKIINCZDNOFYLDA-UHFFFAOYSA-N
XLogP1.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;1,1,1,4,4,4-hexafluorobut-2-yne;palladium?
The IUPAC name of formaldehyde;1,1,1,4,4,4-hexafluorobut-2-yne;palladium (CID 173175881) is formaldehyde;1,1,1,4,4,4-hexafluorobut-2-yne;palladium.
What is the SMILES notation for formaldehyde;1,1,1,4,4,4-hexafluorobut-2-yne;palladium?
The canonical SMILES for formaldehyde;1,1,1,4,4,4-hexafluorobut-2-yne;palladium is C=O.C=O.FC(F)(F)C#CC(F)(F)F.[Pd].
What is the InChIKey of formaldehyde;1,1,1,4,4,4-hexafluorobut-2-yne;palladium?
The InChIKey is KIINCZDNOFYLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F6.2CH2O.Pd/c5-3(6,7)1-2-4(8,9)10;2*1-2;/h;2*1H2;.
What are the key properties of formaldehyde;1,1,1,4,4,4-hexafluorobut-2-yne;palladium?
formaldehyde;1,1,1,4,4,4-hexafluorobut-2-yne;palladium has a molecular weight of 328.50 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1,1,1,4,4,4-hexafluorobut-2-yne;palladium is sourced from PubChem (CID 173175881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).