tris(trifluoromethyl sulfite);ytterbium(3+)

C3F9O9S3Yb — CID 59379176

IUPACtris(trifluoromethyl sulfite);ytterbium(3+)
SMILESO=S([O-])OC(F)(F)F.O=S([O-])OC(F)(F)F.O=S([O-])OC(F)(F)F.[Yb+3]
InChIInChI=1S/3CHF3O3S.Yb/c3*2-1(3,4)7-8(5)6;/h3*(H,5,6);/q;;;+3/p-3
InChIKeyZYZWTOKNGCGVLE-UHFFFAOYSA-K
MW620.25 g/mol
LogP0.95
Rot. Bonds3

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

tris(trifluoromethyl sulfite);ytterbium(3+) (PubChem CID 59379176) has the molecular formula C3F9O9S3Yb and a molecular weight of 620.25 g/mol. Its IUPAC name is tris(trifluoromethyl sulfite);ytterbium(3+).

Molecular Properties

Compound Nametris(trifluoromethyl sulfite);ytterbium(3+)
PubChem CID59379176
Molecular FormulaC3F9O9S3Yb
Molecular Weight620.25 g/mol
Exact Mass620.79
IUPAC Nametris(trifluoromethyl sulfite);ytterbium(3+)
SMILESO=S([O-])OC(F)(F)F.O=S([O-])OC(F)(F)F.O=S([O-])OC(F)(F)F.[Yb+3]
InChIInChI=1S/3CHF3O3S.Yb/c3*2-1(3,4)7-8(5)6;/h3*(H,5,6);/q;;;+3/p-3
InChIKeyZYZWTOKNGCGVLE-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 ≤ 500620.25
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 tris(trifluoromethyl sulfite);ytterbium(3+)?
The IUPAC name of tris(trifluoromethyl sulfite);ytterbium(3+) (CID 59379176) is tris(trifluoromethyl sulfite);ytterbium(3+).
What is the SMILES notation for tris(trifluoromethyl sulfite);ytterbium(3+)?
The canonical SMILES for tris(trifluoromethyl sulfite);ytterbium(3+) is O=S([O-])OC(F)(F)F.O=S([O-])OC(F)(F)F.O=S([O-])OC(F)(F)F.[Yb+3].
What is the InChIKey of tris(trifluoromethyl sulfite);ytterbium(3+)?
The InChIKey is ZYZWTOKNGCGVLE-UHFFFAOYSA-K. The full InChI is InChI=1S/3CHF3O3S.Yb/c3*2-1(3,4)7-8(5)6;/h3*(H,5,6);/q;;;+3/p-3.
What are the key properties of tris(trifluoromethyl sulfite);ytterbium(3+)?
tris(trifluoromethyl sulfite);ytterbium(3+) has a molecular weight of 620.25 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 tris(trifluoromethyl sulfite);ytterbium(3+) is sourced from PubChem (CID 59379176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).