1,1,1,5,5,5-hexafluoro-4-hydroxypentan-2-olate;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);manganese

C15H17F18MnO6- — CID 5232825

IUPAC1,1,1,5,5,5-hexafluoro-4-hydroxypentan-2-olate;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);manganese
SMILESOC(CC(O)C(F)(F)F)C(F)(F)F.OC(CC(O)C(F)(F)F)C(F)(F)F.[Mn].[O-]C(CC(O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/2C5H6F6O2.C5H5F6O2.Mn/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*2-3,12-13H,1H2;2-3,12H,1H2;/q;;-1;
InChIKeyGWBXMZQXDSVFKN-UHFFFAOYSA-N
MW690.20 g/mol
LogP3.03
Rot. Bonds6

About 1,1,1,5,5,5-hexafluoro-4-hydroxypentan-2-olate;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);manganese

1,1,1,5,5,5-hexafluoro-4-hydroxypentan-2-olate;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);manganese (PubChem CID 5232825) has the molecular formula C15H17F18MnO6- and a molecular weight of 690.20 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-4-hydroxypentan-2-olate;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);manganese.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-4-hydroxypentan-2-olate;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);manganese
PubChem CID5232825
Molecular FormulaC15H17F18MnO6-
Molecular Weight690.20 g/mol
Exact Mass690.01
IUPAC Name1,1,1,5,5,5-hexafluoro-4-hydroxypentan-2-olate;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);manganese
SMILESOC(CC(O)C(F)(F)F)C(F)(F)F.OC(CC(O)C(F)(F)F)C(F)(F)F.[Mn].[O-]C(CC(O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/2C5H6F6O2.C5H5F6O2.Mn/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*2-3,12-13H,1H2;2-3,12H,1H2;/q;;-1;
InChIKeyGWBXMZQXDSVFKN-UHFFFAOYSA-N
XLogP3.03
TPSA124.21 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500690.20
LogP ≤ 53.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-4-hydroxypentan-2-olate;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);manganese?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-4-hydroxypentan-2-olate;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);manganese (CID 5232825) is 1,1,1,5,5,5-hexafluoro-4-hydroxypentan-2-olate;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);manganese.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-4-hydroxypentan-2-olate;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);manganese?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-4-hydroxypentan-2-olate;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);manganese is OC(CC(O)C(F)(F)F)C(F)(F)F.OC(CC(O)C(F)(F)F)C(F)(F)F.[Mn].[O-]C(CC(O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoro-4-hydroxypentan-2-olate;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);manganese?
The InChIKey is GWBXMZQXDSVFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H6F6O2.C5H5F6O2.Mn/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*2-3,12-13H,1H2;2-3,12H,1H2;/q;;-1;.
What are the key properties of 1,1,1,5,5,5-hexafluoro-4-hydroxypentan-2-olate;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);manganese?
1,1,1,5,5,5-hexafluoro-4-hydroxypentan-2-olate;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);manganese has a molecular weight of 690.20 g/mol, XLogP of 3.03, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-4-hydroxypentan-2-olate;bis(1,1,1,5,5,5-hexafluoropentane-2,4-diol);manganese is sourced from PubChem (CID 5232825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).