zinc bis(2,2,2-trifluoroethanesulfonate)

C4H4F6O6S2Zn — CID 161231293

IUPACzinc bis(2,2,2-trifluoroethanesulfonate)
SMILESO=S(=O)([O-])CC(F)(F)F.O=S(=O)([O-])CC(F)(F)F.[Zn+2]
InChIInChI=1S/2C2H3F3O3S.Zn/c2*3-2(4,5)1-9(6,7)8;/h2*1H2,(H,6,7,8);/q;;+2/p-2
InChIKeyUYUAEFPFESGPBQ-UHFFFAOYSA-L
MW391.58 g/mol
LogP0.19
Rot. Bonds2

About zinc bis(2,2,2-trifluoroethanesulfonate)

zinc bis(2,2,2-trifluoroethanesulfonate) (PubChem CID 161231293) has the molecular formula C4H4F6O6S2Zn and a molecular weight of 391.58 g/mol. Its IUPAC name is zinc bis(2,2,2-trifluoroethanesulfonate).

Molecular Properties

Compound Namezinc bis(2,2,2-trifluoroethanesulfonate)
PubChem CID161231293
Molecular FormulaC4H4F6O6S2Zn
Molecular Weight391.58 g/mol
Exact Mass389.86
IUPAC Namezinc bis(2,2,2-trifluoroethanesulfonate)
SMILESO=S(=O)([O-])CC(F)(F)F.O=S(=O)([O-])CC(F)(F)F.[Zn+2]
InChIInChI=1S/2C2H3F3O3S.Zn/c2*3-2(4,5)1-9(6,7)8;/h2*1H2,(H,6,7,8);/q;;+2/p-2
InChIKeyUYUAEFPFESGPBQ-UHFFFAOYSA-L
XLogP0.19
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.58
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Zinc(II) 2,2,2-trifluoroethane-1-sulfinate
CID 121237620
Zinc 2,2,2-trifluoroethanesulfinate
CID 117064970
1,2,2,3,3,4-Hexafluorobutane-1,4-disulfonyl difluoride
CID 14203454
2,2,2-Trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate
CID 12727408
2,2-Difluoropropane-1,3-disulfonyl difluoride
CID 13721949
Trifluoromethylsulfonyl ethanesulfonate
CID 15557269
2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 22061690
2,2,4,4,4-Pentafluorobutane-1-sulfonate
CID 58070654
Bis(2,2,2-trifluoroethylsulfonyl)azanide
CID 59015613
1-[Bis(2,2,2-trifluoroethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane
CID 59409374
1,1,1-Trifluoro-2-[2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylethane
CID 59584394
CID 59584395
CID 59584395

Frequently Asked Questions

What is the IUPAC name of zinc bis(2,2,2-trifluoroethanesulfonate)?
The IUPAC name of zinc bis(2,2,2-trifluoroethanesulfonate) (CID 161231293) is zinc bis(2,2,2-trifluoroethanesulfonate).
What is the SMILES notation for zinc bis(2,2,2-trifluoroethanesulfonate)?
The canonical SMILES for zinc bis(2,2,2-trifluoroethanesulfonate) is O=S(=O)([O-])CC(F)(F)F.O=S(=O)([O-])CC(F)(F)F.[Zn+2].
What is the InChIKey of zinc bis(2,2,2-trifluoroethanesulfonate)?
The InChIKey is UYUAEFPFESGPBQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H3F3O3S.Zn/c2*3-2(4,5)1-9(6,7)8;/h2*1H2,(H,6,7,8);/q;;+2/p-2.
What are the key properties of zinc bis(2,2,2-trifluoroethanesulfonate)?
zinc bis(2,2,2-trifluoroethanesulfonate) has a molecular weight of 391.58 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2,2,2-trifluoroethanesulfonate) is sourced from PubChem (CID 161231293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).