tris(trifluoromethanesulfinate);ytterbium(3+)

C3F9O6S3Yb — CID 134992343

IUPACtris(trifluoromethanesulfinate);ytterbium(3+)
SMILESO=S([O-])C(F)(F)F.O=S([O-])C(F)(F)F.O=S([O-])C(F)(F)F.[Yb+3]
InChIInChI=1S/3CHF3O2S.Yb/c3*2-1(3,4)7(5)6;/h3*(H,5,6);/q;;;+3/p-3
InChIKeyIYQCHECKNHWVNA-UHFFFAOYSA-K
MW572.25 g/mol
LogP1.16
Rot. Bonds

About tris(trifluoromethanesulfinate);ytterbium(3+)

tris(trifluoromethanesulfinate);ytterbium(3+) (PubChem CID 134992343) has the molecular formula C3F9O6S3Yb and a molecular weight of 572.25 g/mol. Its IUPAC name is tris(trifluoromethanesulfinate);ytterbium(3+).

Molecular Properties

Compound Nametris(trifluoromethanesulfinate);ytterbium(3+)
PubChem CID134992343
Molecular FormulaC3F9O6S3Yb
Molecular Weight572.25 g/mol
Exact Mass572.81
IUPAC Nametris(trifluoromethanesulfinate);ytterbium(3+)
SMILESO=S([O-])C(F)(F)F.O=S([O-])C(F)(F)F.O=S([O-])C(F)(F)F.[Yb+3]
InChIInChI=1S/3CHF3O2S.Yb/c3*2-1(3,4)7(5)6;/h3*(H,5,6);/q;;;+3/p-3
InChIKeyIYQCHECKNHWVNA-UHFFFAOYSA-K
XLogP1.16
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.25
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;trifluoromethanesulfinate
CID 89437311
CID 175447922
CID 175447922
sulfuric acid;trifluoromethanesulfinate
CID 175095514
sodium 1,1-difluoroethanesulfinate
CID 117065045
2-bromo-1,1,2,2-tetrafluoroethanesulfinate
CID 91807241
lithium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfinate
CID 174871743
potassium;hydride;1,1,2,2,2-pentafluoroethanesulfinate
CID 174997119
1,1,2,3,3-pentafluoroprop-2-ene-1-sulfinate
CID 174654581
zinc bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfinate)
CID 135315333
samarium(3+);tris(trifluoromethyl sulfite)
CID 58114423
azane;1-(2-ethylsulfinylethyl)-1-methylpyrrolidin-1-ium;bis(trifluoromethanesulfinate)
CID 159815902
1,1-diaminoethanesulfinate
CID 90404877

Frequently Asked Questions

What is the IUPAC name of tris(trifluoromethanesulfinate);ytterbium(3+)?
The IUPAC name of tris(trifluoromethanesulfinate);ytterbium(3+) (CID 134992343) is tris(trifluoromethanesulfinate);ytterbium(3+).
What is the SMILES notation for tris(trifluoromethanesulfinate);ytterbium(3+)?
The canonical SMILES for tris(trifluoromethanesulfinate);ytterbium(3+) is O=S([O-])C(F)(F)F.O=S([O-])C(F)(F)F.O=S([O-])C(F)(F)F.[Yb+3].
What is the InChIKey of tris(trifluoromethanesulfinate);ytterbium(3+)?
The InChIKey is IYQCHECKNHWVNA-UHFFFAOYSA-K. The full InChI is InChI=1S/3CHF3O2S.Yb/c3*2-1(3,4)7(5)6;/h3*(H,5,6);/q;;;+3/p-3.
What are the key properties of tris(trifluoromethanesulfinate);ytterbium(3+)?
tris(trifluoromethanesulfinate);ytterbium(3+) has a molecular weight of 572.25 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(trifluoromethanesulfinate);ytterbium(3+) is sourced from PubChem (CID 134992343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).