erbium(3+);tris(trifluoromethanesulfonate);hydrate

C3H2ErF9O10S3 — CID 141284699

IUPACerbium(3+);tris(trifluoromethanesulfonate);hydrate
SMILESO.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Er+3]
InChIInChI=1S/3CHF3O3S.Er.H2O/c3*2-1(3,4)8(5,6)7;;/h3*(H,5,6,7);;1H2/q;;;+3;/p-3
InChIKeyAFKNZNAQUZUVTQ-UHFFFAOYSA-K
MW632.48 g/mol
LogP-0.67
Rot. Bonds

About erbium(3+);tris(trifluoromethanesulfonate);hydrate

erbium(3+);tris(trifluoromethanesulfonate);hydrate (PubChem CID 141284699) has the molecular formula C3H2ErF9O10S3 and a molecular weight of 632.48 g/mol. Its IUPAC name is erbium(3+);tris(trifluoromethanesulfonate);hydrate.

Molecular Properties

Compound Nameerbium(3+);tris(trifluoromethanesulfonate);hydrate
PubChem CID141284699
Molecular FormulaC3H2ErF9O10S3
Molecular Weight632.48 g/mol
Exact Mass630.80
IUPAC Nameerbium(3+);tris(trifluoromethanesulfonate);hydrate
SMILESO.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Er+3]
InChIInChI=1S/3CHF3O3S.Er.H2O/c3*2-1(3,4)8(5,6)7;;/h3*(H,5,6,7);;1H2/q;;;+3;/p-3
InChIKeyAFKNZNAQUZUVTQ-UHFFFAOYSA-K
XLogP-0.67
TPSA203.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.48
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

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lanthanum(3+);trifluoromethanesulfonate;hydrate
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scandium(3+);tris(trifluoromethanesulfonate);hydrate
CID 134128705
pentakis(trifluoromethanesulfonate);vanadium
CID 140617079
CID 170997250
CID 170997250
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749
scandium(3+);bis(trifluoromethanesulfonate)
CID 135121751
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+)
CID 24866233
dimethylalumanylium;trifluoromethanesulfonate
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Frequently Asked Questions

What is the IUPAC name of erbium(3+);tris(trifluoromethanesulfonate);hydrate?
The IUPAC name of erbium(3+);tris(trifluoromethanesulfonate);hydrate (CID 141284699) is erbium(3+);tris(trifluoromethanesulfonate);hydrate.
What is the SMILES notation for erbium(3+);tris(trifluoromethanesulfonate);hydrate?
The canonical SMILES for erbium(3+);tris(trifluoromethanesulfonate);hydrate is O.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Er+3].
What is the InChIKey of erbium(3+);tris(trifluoromethanesulfonate);hydrate?
The InChIKey is AFKNZNAQUZUVTQ-UHFFFAOYSA-K. The full InChI is InChI=1S/3CHF3O3S.Er.H2O/c3*2-1(3,4)8(5,6)7;;/h3*(H,5,6,7);;1H2/q;;;+3;/p-3.
What are the key properties of erbium(3+);tris(trifluoromethanesulfonate);hydrate?
erbium(3+);tris(trifluoromethanesulfonate);hydrate has a molecular weight of 632.48 g/mol, XLogP of -0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for erbium(3+);tris(trifluoromethanesulfonate);hydrate is sourced from PubChem (CID 141284699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).