lanthanum(3+);trifluoromethanesulfonate;hydrate

CH2F3LaO4S+2 — CID 22625223

IUPAClanthanum(3+);trifluoromethanesulfonate;hydrate
SMILESO.O=S(=O)([O-])C(F)(F)F.[La+3]
InChIInChI=1S/CHF3O3S.La.H2O/c2-1(3,4)8(5,6)7;;/h(H,5,6,7);;1H2/q;+3;/p-1
InChIKeyQGPAKQJOBUXLPY-UHFFFAOYSA-M
MW305.99 g/mol
LogP-0.77
Rot. Bonds

About lanthanum(3+);trifluoromethanesulfonate;hydrate

lanthanum(3+);trifluoromethanesulfonate;hydrate (PubChem CID 22625223) has the molecular formula CH2F3LaO4S+2 and a molecular weight of 305.99 g/mol. Its IUPAC name is lanthanum(3+);trifluoromethanesulfonate;hydrate.

Molecular Properties

Compound Namelanthanum(3+);trifluoromethanesulfonate;hydrate
PubChem CID22625223
Molecular FormulaCH2F3LaO4S+2
Molecular Weight305.99 g/mol
Exact Mass305.87
IUPAC Namelanthanum(3+);trifluoromethanesulfonate;hydrate
SMILESO.O=S(=O)([O-])C(F)(F)F.[La+3]
InChIInChI=1S/CHF3O3S.La.H2O/c2-1(3,4)8(5,6)7;;/h(H,5,6,7);;1H2/q;+3;/p-1
InChIKeyQGPAKQJOBUXLPY-UHFFFAOYSA-M
XLogP-0.77
TPSA88.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.99
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

lanthanum(3+);tris(trifluoromethanesulfonate);hydrate
CID 71311383
copper;bis(trifluoromethanesulfonate);trihydrate
CID 140682148
scandium(3+);tris(trifluoromethanesulfonate);hydrate
CID 134128705
erbium(3+);tris(trifluoromethanesulfonate);hydrate
CID 141284699
scandium(3+);bis(trifluoromethanesulfonate)
CID 135121751
CID 170997250
CID 170997250
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749
pentakis(trifluoromethanesulfonate);vanadium
CID 140617079
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+)
CID 24866233
trifluoromethanesulfonate;trimethylstannanylium
CID 119095664
dimethylalumanylium;trifluoromethanesulfonate
CID 16688558

Frequently Asked Questions

What is the IUPAC name of lanthanum(3+);trifluoromethanesulfonate;hydrate?
The IUPAC name of lanthanum(3+);trifluoromethanesulfonate;hydrate (CID 22625223) is lanthanum(3+);trifluoromethanesulfonate;hydrate.
What is the SMILES notation for lanthanum(3+);trifluoromethanesulfonate;hydrate?
The canonical SMILES for lanthanum(3+);trifluoromethanesulfonate;hydrate is O.O=S(=O)([O-])C(F)(F)F.[La+3].
What is the InChIKey of lanthanum(3+);trifluoromethanesulfonate;hydrate?
The InChIKey is QGPAKQJOBUXLPY-UHFFFAOYSA-M. The full InChI is InChI=1S/CHF3O3S.La.H2O/c2-1(3,4)8(5,6)7;;/h(H,5,6,7);;1H2/q;+3;/p-1.
What are the key properties of lanthanum(3+);trifluoromethanesulfonate;hydrate?
lanthanum(3+);trifluoromethanesulfonate;hydrate has a molecular weight of 305.99 g/mol, XLogP of -0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lanthanum(3+);trifluoromethanesulfonate;hydrate is sourced from PubChem (CID 22625223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).