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

C3H2F9O10S3Sc — CID 134128705

IUPACscandium(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.[Sc+3]
InChIInChI=1S/3CHF3O3S.H2O.Sc/c3*2-1(3,4)8(5,6)7;;/h3*(H,5,6,7);1H2;/q;;;;+3/p-3
InChIKeyVOWSABJYARFUDC-UHFFFAOYSA-K
MW510.18 g/mol
LogP-0.67
Rot. Bonds

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

scandium(3+);tris(trifluoromethanesulfonate);hydrate (PubChem CID 134128705) has the molecular formula C3H2F9O10S3Sc and a molecular weight of 510.18 g/mol. Its IUPAC name is scandium(3+);tris(trifluoromethanesulfonate);hydrate.

Molecular Properties

Compound Namescandium(3+);tris(trifluoromethanesulfonate);hydrate
PubChem CID134128705
Molecular FormulaC3H2F9O10S3Sc
Molecular Weight510.18 g/mol
Exact Mass509.82
IUPAC Namescandium(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.[Sc+3]
InChIInChI=1S/3CHF3O3S.H2O.Sc/c3*2-1(3,4)8(5,6)7;;/h3*(H,5,6,7);1H2;/q;;;;+3/p-3
InChIKeyVOWSABJYARFUDC-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 ≤ 500510.18
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

scandium(3+);bis(trifluoromethanesulfonate)
CID 135121751
lanthanum(3+);tris(trifluoromethanesulfonate);hydrate
CID 71311383
copper;bis(trifluoromethanesulfonate);trihydrate
CID 140682148
lanthanum(3+);trifluoromethanesulfonate;hydrate
CID 22625223
erbium(3+);tris(trifluoromethanesulfonate);hydrate
CID 141284699
CID 170997250
CID 170997250
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749
pentakis(trifluoromethanesulfonate);vanadium
CID 140617079
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
acetonitrile;scandium(3+);tris(trifluoromethanesulfonate)
CID 174984454
oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+)
CID 24866233
dimethylalumanylium;trifluoromethanesulfonate
CID 16688558

Frequently Asked Questions

What is the IUPAC name of scandium(3+);tris(trifluoromethanesulfonate);hydrate?
The IUPAC name of scandium(3+);tris(trifluoromethanesulfonate);hydrate (CID 134128705) is scandium(3+);tris(trifluoromethanesulfonate);hydrate.
What is the SMILES notation for scandium(3+);tris(trifluoromethanesulfonate);hydrate?
The canonical SMILES for scandium(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.[Sc+3].
What is the InChIKey of scandium(3+);tris(trifluoromethanesulfonate);hydrate?
The InChIKey is VOWSABJYARFUDC-UHFFFAOYSA-K. The full InChI is InChI=1S/3CHF3O3S.H2O.Sc/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 scandium(3+);tris(trifluoromethanesulfonate);hydrate?
scandium(3+);tris(trifluoromethanesulfonate);hydrate has a molecular weight of 510.18 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 scandium(3+);tris(trifluoromethanesulfonate);hydrate is sourced from PubChem (CID 134128705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).