copper;bis(1,1,1-trifluoropentane-2,4-diol)

C10H18CuF6O4 — CID 21135174

IUPACcopper;bis(1,1,1-trifluoropentane-2,4-diol)
SMILESCC(O)CC(O)C(F)(F)F.CC(O)CC(O)C(F)(F)F.[Cu]
InChIInChI=1S/2C5H9F3O2.Cu/c2*1-3(9)2-4(10)5(6,7)8;/h2*3-4,9-10H,2H2,1H3;
InChIKeyOCMAALLJJFZXGL-UHFFFAOYSA-N
MW379.78 g/mol
LogP1.36
Rot. Bonds4

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

copper;bis(1,1,1-trifluoropentane-2,4-diol) (PubChem CID 21135174) has the molecular formula C10H18CuF6O4 and a molecular weight of 379.78 g/mol. Its IUPAC name is copper;bis(1,1,1-trifluoropentane-2,4-diol).

Molecular Properties

Compound Namecopper;bis(1,1,1-trifluoropentane-2,4-diol)
PubChem CID21135174
Molecular FormulaC10H18CuF6O4
Molecular Weight379.78 g/mol
Exact Mass379.04
IUPAC Namecopper;bis(1,1,1-trifluoropentane-2,4-diol)
SMILESCC(O)CC(O)C(F)(F)F.CC(O)CC(O)C(F)(F)F.[Cu]
InChIInChI=1S/2C5H9F3O2.Cu/c2*1-3(9)2-4(10)5(6,7)8;/h2*3-4,9-10H,2H2,1H3;
InChIKeyOCMAALLJJFZXGL-UHFFFAOYSA-N
XLogP1.36
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.78
LogP ≤ 51.36
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-trifluoropentane-2,4-diol)?
The IUPAC name of copper;bis(1,1,1-trifluoropentane-2,4-diol) (CID 21135174) is copper;bis(1,1,1-trifluoropentane-2,4-diol).
What is the SMILES notation for copper;bis(1,1,1-trifluoropentane-2,4-diol)?
The canonical SMILES for copper;bis(1,1,1-trifluoropentane-2,4-diol) is CC(O)CC(O)C(F)(F)F.CC(O)CC(O)C(F)(F)F.[Cu].
What is the InChIKey of copper;bis(1,1,1-trifluoropentane-2,4-diol)?
The InChIKey is OCMAALLJJFZXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H9F3O2.Cu/c2*1-3(9)2-4(10)5(6,7)8;/h2*3-4,9-10H,2H2,1H3;.
What are the key properties of copper;bis(1,1,1-trifluoropentane-2,4-diol)?
copper;bis(1,1,1-trifluoropentane-2,4-diol) has a molecular weight of 379.78 g/mol, XLogP of 1.36, 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-trifluoropentane-2,4-diol) is sourced from PubChem (CID 21135174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).