bis(2,2,2-trifluoroethanesulfinic acid);zinc

C4H6F6O4S2Zn — CID 117064970

IUPACbis(2,2,2-trifluoroethanesulfinic acid);zinc
SMILESO=S(O)CC(F)(F)F.O=S(O)CC(F)(F)F.[Zn]
InChIInChI=1S/2C2H3F3O2S.Zn/c2*3-2(4,5)1-8(6)7;/h2*1H2,(H,6,7);
InChIKeySTDZLPUCUFWKKI-UHFFFAOYSA-N
MW361.60 g/mol
LogP1.54
Rot. Bonds2

About bis(2,2,2-trifluoroethanesulfinic acid);zinc

bis(2,2,2-trifluoroethanesulfinic acid);zinc (PubChem CID 117064970) has the molecular formula C4H6F6O4S2Zn and a molecular weight of 361.60 g/mol. Its IUPAC name is bis(2,2,2-trifluoroethanesulfinic acid);zinc.

Molecular Properties

Compound Namebis(2,2,2-trifluoroethanesulfinic acid);zinc
PubChem CID117064970
Molecular FormulaC4H6F6O4S2Zn
Molecular Weight361.60 g/mol
Exact Mass359.89
IUPAC Namebis(2,2,2-trifluoroethanesulfinic acid);zinc
SMILESO=S(O)CC(F)(F)F.O=S(O)CC(F)(F)F.[Zn]
InChIInChI=1S/2C2H3F3O2S.Zn/c2*3-2(4,5)1-8(6)7;/h2*1H2,(H,6,7);
InChIKeySTDZLPUCUFWKKI-UHFFFAOYSA-N
XLogP1.54
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.60
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Zinc(II) 2,2,2-trifluoroethane-1-sulfinate
CID 121237620
1h-Tetra-fluoroethanesulfonic acid dihydrate
CID 129806119
2,2,2-Trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate
CID 12727408
4,4,4-Trifluorobutane-1,3-disulfonic acid
CID 57172507
1,1-Difluoroethane-1,2-disulfonic acid
CID 87956747
1,2,2,2-Tetrafluoroethanesulfonic acid;hydrate
CID 88497935
3,3,4,4-Tetrafluorobutane-1-sulfinic acid
CID 91200398
CID 157860218
CID 157860218
2,2,2-Trifluoroethanesulfonic acid;trifluoromethanesulfonic acid
CID 160034036
ZINC bis(2,2,2-trifluoroethanesulfonate)
CID 161231293
CID 161566714
CID 161566714
2,2,3,3-Tetrafluorobutane-1,4-disulfonic acid
CID 175117700

Frequently Asked Questions

What is the IUPAC name of bis(2,2,2-trifluoroethanesulfinic acid);zinc?
The IUPAC name of bis(2,2,2-trifluoroethanesulfinic acid);zinc (CID 117064970) is bis(2,2,2-trifluoroethanesulfinic acid);zinc.
What is the SMILES notation for bis(2,2,2-trifluoroethanesulfinic acid);zinc?
The canonical SMILES for bis(2,2,2-trifluoroethanesulfinic acid);zinc is O=S(O)CC(F)(F)F.O=S(O)CC(F)(F)F.[Zn].
What is the InChIKey of bis(2,2,2-trifluoroethanesulfinic acid);zinc?
The InChIKey is STDZLPUCUFWKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H3F3O2S.Zn/c2*3-2(4,5)1-8(6)7;/h2*1H2,(H,6,7);.
What are the key properties of bis(2,2,2-trifluoroethanesulfinic acid);zinc?
bis(2,2,2-trifluoroethanesulfinic acid);zinc has a molecular weight of 361.60 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,2-trifluoroethanesulfinic acid);zinc is sourced from PubChem (CID 117064970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).