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

C10H12CuF12O4 — CID 5249777

IUPACcopper;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]
InChIInChI=1S/2C5H6F6O2.Cu/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*2-3,12-13H,1H2;
InChIKeyJTFBUUVMFANEDV-UHFFFAOYSA-N
MW487.72 g/mol
LogP2.44
Rot. Bonds4

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

copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol) (PubChem CID 5249777) has the molecular formula C10H12CuF12O4 and a molecular weight of 487.72 g/mol. Its IUPAC name is copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol).

Molecular Properties

Compound Namecopper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol)
PubChem CID5249777
Molecular FormulaC10H12CuF12O4
Molecular Weight487.72 g/mol
Exact Mass486.98
IUPAC Namecopper;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]
InChIInChI=1S/2C5H6F6O2.Cu/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*2-3,12-13H,1H2;
InChIKeyJTFBUUVMFANEDV-UHFFFAOYSA-N
XLogP2.44
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.72
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol)?
The IUPAC name of copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol) (CID 5249777) is copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol).
What is the SMILES notation for copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol)?
The canonical SMILES for 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].
What is the InChIKey of copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol)?
The InChIKey is JTFBUUVMFANEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H6F6O2.Cu/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 copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol)?
copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol) has a molecular weight of 487.72 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 copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol) is sourced from PubChem (CID 5249777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).