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

C10H18CuF12O6+2 — CID 5249779

IUPACdioxidanium;copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol)
SMILESOC(CC(O)C(F)(F)F)C(F)(F)F.OC(CC(O)C(F)(F)F)C(F)(F)F.[Cu].[OH3+].[OH3+]
InChIInChI=1S/2C5H6F6O2.Cu.2H2O/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;;;/h2*2-3,12-13H,1H2;;2*1H2/p+2
InChIKeySIHAXDLVKLDBNA-UHFFFAOYSA-P
MW525.77 g/mol
LogP0.60
Rot. Bonds4

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

dioxidanium;copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol) (PubChem CID 5249779) has the molecular formula C10H18CuF12O6+2 and a molecular weight of 525.77 g/mol. Its IUPAC name is dioxidanium;copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol).

Molecular Properties

Compound Namedioxidanium;copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol)
PubChem CID5249779
Molecular FormulaC10H18CuF12O6+2
Molecular Weight525.77 g/mol
Exact Mass525.02
IUPAC Namedioxidanium;copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol)
SMILESOC(CC(O)C(F)(F)F)C(F)(F)F.OC(CC(O)C(F)(F)F)C(F)(F)F.[Cu].[OH3+].[OH3+]
InChIInChI=1S/2C5H6F6O2.Cu.2H2O/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;;;/h2*2-3,12-13H,1H2;;2*1H2/p+2
InChIKeySIHAXDLVKLDBNA-UHFFFAOYSA-P
XLogP0.60
TPSA146.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.77
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dioxidanium;copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol)?
The IUPAC name of dioxidanium;copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol) (CID 5249779) is dioxidanium;copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol).
What is the SMILES notation for dioxidanium;copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol)?
The canonical SMILES for dioxidanium;copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol) is OC(CC(O)C(F)(F)F)C(F)(F)F.OC(CC(O)C(F)(F)F)C(F)(F)F.[Cu].[OH3+].[OH3+].
What is the InChIKey of dioxidanium;copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol)?
The InChIKey is SIHAXDLVKLDBNA-UHFFFAOYSA-P. The full InChI is InChI=1S/2C5H6F6O2.Cu.2H2O/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;;;/h2*2-3,12-13H,1H2;;2*1H2/p+2.
What are the key properties of dioxidanium;copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol)?
dioxidanium;copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol) has a molecular weight of 525.77 g/mol, XLogP of 0.60, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dioxidanium;copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol) is sourced from PubChem (CID 5249779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).