erbium(3+);fluoromethanesulfonate

C3H6ErF3O9S3 — CID 141284700

IUPACerbium(3+);fluoromethanesulfonate
SMILESO=S(=O)([O-])CF.O=S(=O)([O-])CF.O=S(=O)([O-])CF.[Er+3]
InChIInChI=1S/3CH3FO3S.Er/c3*2-1-6(3,4)5;/h3*1H2,(H,3,4,5);/q;;;+3/p-3
InChIKeyJHBXFVGRTCZPPS-UHFFFAOYSA-K
MW506.53 g/mol
LogP-1.62
Rot. Bonds3

About erbium(3+);fluoromethanesulfonate

erbium(3+);fluoromethanesulfonate (PubChem CID 141284700) has the molecular formula C3H6ErF3O9S3 and a molecular weight of 506.53 g/mol. Its IUPAC name is erbium(3+);fluoromethanesulfonate.

Molecular Properties

Compound Nameerbium(3+);fluoromethanesulfonate
PubChem CID141284700
Molecular FormulaC3H6ErF3O9S3
Molecular Weight506.53 g/mol
Exact Mass504.84
IUPAC Nameerbium(3+);fluoromethanesulfonate
SMILESO=S(=O)([O-])CF.O=S(=O)([O-])CF.O=S(=O)([O-])CF.[Er+3]
InChIInChI=1S/3CH3FO3S.Er/c3*2-1-6(3,4)5;/h3*1H2,(H,3,4,5);/q;;;+3/p-3
InChIKeyJHBXFVGRTCZPPS-UHFFFAOYSA-K
XLogP-1.62
TPSA171.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.53
LogP ≤ 5-1.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

lithium 2-fluoroethanesulfonate
CID 163830662
dilithium;ethane-1,2-disulfonate
CID 87246309
cesium;chromium(3+);disulfate
CID 14228611
azanium;cesium;sulfate
CID 19710911
cesium;manganese(3+);disulfate
CID 22613969
CID 172807772
CID 172807772
5-fluoropentane-1-sulfonate
CID 20976710
ethanesulfonate;ruthenium(3+)
CID 139771626
dialuminum;tris(methanedisulfonate)
CID 76967616
strontium ethane-1,2-disulfonate
CID 87366284
ethane-1,2-disulfonate;silver
CID 87079782
copper(1+);ethanesulfonate
CID 175365539

Frequently Asked Questions

What is the IUPAC name of erbium(3+);fluoromethanesulfonate?
The IUPAC name of erbium(3+);fluoromethanesulfonate (CID 141284700) is erbium(3+);fluoromethanesulfonate.
What is the SMILES notation for erbium(3+);fluoromethanesulfonate?
The canonical SMILES for erbium(3+);fluoromethanesulfonate is O=S(=O)([O-])CF.O=S(=O)([O-])CF.O=S(=O)([O-])CF.[Er+3].
What is the InChIKey of erbium(3+);fluoromethanesulfonate?
The InChIKey is JHBXFVGRTCZPPS-UHFFFAOYSA-K. The full InChI is InChI=1S/3CH3FO3S.Er/c3*2-1-6(3,4)5;/h3*1H2,(H,3,4,5);/q;;;+3/p-3.
What are the key properties of erbium(3+);fluoromethanesulfonate?
erbium(3+);fluoromethanesulfonate has a molecular weight of 506.53 g/mol, XLogP of -1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for erbium(3+);fluoromethanesulfonate is sourced from PubChem (CID 141284700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).