bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);palladium

C10H12F12O4Pd — CID 164887028

IUPACbis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);palladium
SMILESOC(CC(O)C(F)(F)F)C(F)(F)F.OC(CC(O)C(F)(F)F)C(F)(F)F.[Pd]
InChIInChI=1S/2C5H6F6O2.Pd/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*2-3,12-13H,1H2;
InChIKeyYTKARWUBQBFZOG-UHFFFAOYSA-N
MW530.60 g/mol
LogP2.44
Rot. Bonds4

About bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);palladium

bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);palladium (PubChem CID 164887028) has the molecular formula C10H12F12O4Pd and a molecular weight of 530.60 g/mol. Its IUPAC name is bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);palladium.

Molecular Properties

Compound Namebis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);palladium
PubChem CID164887028
Molecular FormulaC10H12F12O4Pd
Molecular Weight530.60 g/mol
Exact Mass529.96
IUPAC Namebis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);palladium
SMILESOC(CC(O)C(F)(F)F)C(F)(F)F.OC(CC(O)C(F)(F)F)C(F)(F)F.[Pd]
InChIInChI=1S/2C5H6F6O2.Pd/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*2-3,12-13H,1H2;
InChIKeyYTKARWUBQBFZOG-UHFFFAOYSA-N
XLogP2.44
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.60
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);palladium?
The IUPAC name of bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);palladium (CID 164887028) is bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);palladium.
What is the SMILES notation for bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);palladium?
The canonical SMILES for bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);palladium is OC(CC(O)C(F)(F)F)C(F)(F)F.OC(CC(O)C(F)(F)F)C(F)(F)F.[Pd].
What is the InChIKey of bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);palladium?
The InChIKey is YTKARWUBQBFZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H6F6O2.Pd/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*2-3,12-13H,1H2;.
What are the key properties of bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);palladium?
bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);palladium has a molecular weight of 530.60 g/mol, XLogP of 2.44, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);palladium is sourced from PubChem (CID 164887028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).