niobium(5+);pentakis(2,2,2-trifluoroethanolate)

C10H10F15NbO5 — CID 22995184

IUPACniobium(5+);pentakis(2,2,2-trifluoroethanolate)
SMILES[Nb+5].[O-]CC(F)(F)F.[O-]CC(F)(F)F.[O-]CC(F)(F)F.[O-]CC(F)(F)F.[O-]CC(F)(F)F
InChIInChI=1S/5C2H2F3O.Nb/c5*3-2(4,5)1-6;/h5*1H2;/q5*-1;+5
InChIKeyGXECUFWBZLLUDL-UHFFFAOYSA-N
MW588.06 g/mol
LogP-0.46
Rot. Bonds

About niobium(5+);pentakis(2,2,2-trifluoroethanolate)

niobium(5+);pentakis(2,2,2-trifluoroethanolate) (PubChem CID 22995184) has the molecular formula C10H10F15NbO5 and a molecular weight of 588.06 g/mol. Its IUPAC name is niobium(5+);pentakis(2,2,2-trifluoroethanolate).

Molecular Properties

Compound Nameniobium(5+);pentakis(2,2,2-trifluoroethanolate)
PubChem CID22995184
Molecular FormulaC10H10F15NbO5
Molecular Weight588.06 g/mol
Exact Mass587.94
IUPAC Nameniobium(5+);pentakis(2,2,2-trifluoroethanolate)
SMILES[Nb+5].[O-]CC(F)(F)F.[O-]CC(F)(F)F.[O-]CC(F)(F)F.[O-]CC(F)(F)F.[O-]CC(F)(F)F
InChIInChI=1S/5C2H2F3O.Nb/c5*3-2(4,5)1-6;/h5*1H2;/q5*-1;+5
InChIKeyGXECUFWBZLLUDL-UHFFFAOYSA-N
XLogP-0.46
TPSA115.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.06
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of niobium(5+);pentakis(2,2,2-trifluoroethanolate)?
The IUPAC name of niobium(5+);pentakis(2,2,2-trifluoroethanolate) (CID 22995184) is niobium(5+);pentakis(2,2,2-trifluoroethanolate).
What is the SMILES notation for niobium(5+);pentakis(2,2,2-trifluoroethanolate)?
The canonical SMILES for niobium(5+);pentakis(2,2,2-trifluoroethanolate) is [Nb+5].[O-]CC(F)(F)F.[O-]CC(F)(F)F.[O-]CC(F)(F)F.[O-]CC(F)(F)F.[O-]CC(F)(F)F.
What is the InChIKey of niobium(5+);pentakis(2,2,2-trifluoroethanolate)?
The InChIKey is GXECUFWBZLLUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/5C2H2F3O.Nb/c5*3-2(4,5)1-6;/h5*1H2;/q5*-1;+5.
What are the key properties of niobium(5+);pentakis(2,2,2-trifluoroethanolate)?
niobium(5+);pentakis(2,2,2-trifluoroethanolate) has a molecular weight of 588.06 g/mol, XLogP of -0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for niobium(5+);pentakis(2,2,2-trifluoroethanolate) is sourced from PubChem (CID 22995184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).