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

C10H10CuF12O4 — CID 134939954

IUPACcopper bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol)
SMILESOC([CH-]C(O)C(F)(F)F)C(F)(F)F.OC([CH-]C(O)C(F)(F)F)C(F)(F)F.[Cu+2]
InChIInChI=1S/2C5H5F6O2.Cu/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1-3,12-13H;/q2*-1;+2
InChIKeyFQYUOLWRXFZLLT-UHFFFAOYSA-N
MW485.71 g/mol
LogP2.07
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 134939954) has the molecular formula C10H10CuF12O4 and a molecular weight of 485.71 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 CID134939954
Molecular FormulaC10H10CuF12O4
Molecular Weight485.71 g/mol
Exact Mass484.97
IUPAC Namecopper bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol)
SMILESOC([CH-]C(O)C(F)(F)F)C(F)(F)F.OC([CH-]C(O)C(F)(F)F)C(F)(F)F.[Cu+2]
InChIInChI=1S/2C5H5F6O2.Cu/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1-3,12-13H;/q2*-1;+2
InChIKeyFQYUOLWRXFZLLT-UHFFFAOYSA-N
XLogP2.07
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.71
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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 134939954) 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([CH-]C(O)C(F)(F)F)C(F)(F)F.OC([CH-]C(O)C(F)(F)F)C(F)(F)F.[Cu+2].
What is the InChIKey of copper bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol)?
The InChIKey is FQYUOLWRXFZLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5F6O2.Cu/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1-3,12-13H;/q2*-1;+2.
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 485.71 g/mol, XLogP of 2.07, 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 134939954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).