samarium(3+);tris(trifluoromethyl sulfite)

C3F9O9S3Sm — CID 58114423

IUPACsamarium(3+);tris(trifluoromethyl sulfite)
SMILESO=S([O-])OC(F)(F)F.O=S([O-])OC(F)(F)F.O=S([O-])OC(F)(F)F.[Sm+3]
InChIInChI=1S/3CHF3O3S.Sm/c3*2-1(3,4)7-8(5)6;/h3*(H,5,6);/q;;;+3/p-3
InChIKeyNXMHQPHZOWDVGK-UHFFFAOYSA-K
MW597.57 g/mol
LogP0.95
Rot. Bonds3

About samarium(3+);tris(trifluoromethyl sulfite)

samarium(3+);tris(trifluoromethyl sulfite) (PubChem CID 58114423) has the molecular formula C3F9O9S3Sm and a molecular weight of 597.57 g/mol. Its IUPAC name is samarium(3+);tris(trifluoromethyl sulfite).

Molecular Properties

Compound Namesamarium(3+);tris(trifluoromethyl sulfite)
PubChem CID58114423
Molecular FormulaC3F9O9S3Sm
Molecular Weight597.57 g/mol
Exact Mass598.78
IUPAC Namesamarium(3+);tris(trifluoromethyl sulfite)
SMILESO=S([O-])OC(F)(F)F.O=S([O-])OC(F)(F)F.O=S([O-])OC(F)(F)F.[Sm+3]
InChIInChI=1S/3CHF3O3S.Sm/c3*2-1(3,4)7-8(5)6;/h3*(H,5,6);/q;;;+3/p-3
InChIKeyNXMHQPHZOWDVGK-UHFFFAOYSA-K
XLogP0.95
TPSA148.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.57
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of samarium(3+);tris(trifluoromethyl sulfite)?
The IUPAC name of samarium(3+);tris(trifluoromethyl sulfite) (CID 58114423) is samarium(3+);tris(trifluoromethyl sulfite).
What is the SMILES notation for samarium(3+);tris(trifluoromethyl sulfite)?
The canonical SMILES for samarium(3+);tris(trifluoromethyl sulfite) is O=S([O-])OC(F)(F)F.O=S([O-])OC(F)(F)F.O=S([O-])OC(F)(F)F.[Sm+3].
What is the InChIKey of samarium(3+);tris(trifluoromethyl sulfite)?
The InChIKey is NXMHQPHZOWDVGK-UHFFFAOYSA-K. The full InChI is InChI=1S/3CHF3O3S.Sm/c3*2-1(3,4)7-8(5)6;/h3*(H,5,6);/q;;;+3/p-3.
What are the key properties of samarium(3+);tris(trifluoromethyl sulfite)?
samarium(3+);tris(trifluoromethyl sulfite) has a molecular weight of 597.57 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for samarium(3+);tris(trifluoromethyl sulfite) is sourced from PubChem (CID 58114423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).