zinc bis(2,2,2-trifluoroethanesulfinate)

C4H4F6O4S2Zn — CID 121237620

IUPACzinc bis(2,2,2-trifluoroethanesulfinate)
SMILESO=S([O-])CC(F)(F)F.O=S([O-])CC(F)(F)F.[Zn+2]
InChIInChI=1S/2C2H3F3O2S.Zn/c2*3-2(4,5)1-8(6)7;/h2*1H2,(H,6,7);/q;;+2/p-2
InChIKeyPUGHSSOALZPRJD-UHFFFAOYSA-L
MW359.58 g/mol
LogP0.85
Rot. Bonds2

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

zinc bis(2,2,2-trifluoroethanesulfinate) (PubChem CID 121237620) has the molecular formula C4H4F6O4S2Zn and a molecular weight of 359.58 g/mol. Its IUPAC name is zinc bis(2,2,2-trifluoroethanesulfinate).

Molecular Properties

Compound Namezinc bis(2,2,2-trifluoroethanesulfinate)
PubChem CID121237620
Molecular FormulaC4H4F6O4S2Zn
Molecular Weight359.58 g/mol
Exact Mass357.87
IUPAC Namezinc bis(2,2,2-trifluoroethanesulfinate)
SMILESO=S([O-])CC(F)(F)F.O=S([O-])CC(F)(F)F.[Zn+2]
InChIInChI=1S/2C2H3F3O2S.Zn/c2*3-2(4,5)1-8(6)7;/h2*1H2,(H,6,7);/q;;+2/p-2
InChIKeyPUGHSSOALZPRJD-UHFFFAOYSA-L
XLogP0.85
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.58
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,2,2-trifluoroethanesulfinate
CID 117064970
2,2,2-Trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate
CID 12727408
Bis(2,2,2-trifluoroethylsulfonyl)azanide
CID 59015613
2,2,3,3-Tetrafluoropropylsulfonyl 2,2,3,3-tetrafluoropropane-1-sulfonate
CID 87659564
1,2,2,2-Tetrafluoroethylsulfonyl 1,2,2,2-tetrafluoroethanesulfonate
CID 87660281
2-(2,2-Difluoroethylsulfinylsulfinyl)-1,1,1-trifluoroethane
CID 87931297
1-Ethylsulfonylsulfanyl-1,1,2,2,2-pentafluoroethane
CID 139934245
Tris(2,2,2-trifluoroethanesulfonate);yttrium(3+)
CID 140006320
1,2-Bis(trifluoromethylsulfonyl)ethane
CID 141114696
Ethylsulfonyl 2,2,2-trifluoroethanesulfonate
CID 149163063
Tin(2+);bis(1,1,1-trifluoro-2-sulfinatoethane)
CID 154100897
Bis(trifluoromethyl) ethane-1,2-disulfonate
CID 155793736

Frequently Asked Questions

What is the IUPAC name of zinc bis(2,2,2-trifluoroethanesulfinate)?
The IUPAC name of zinc bis(2,2,2-trifluoroethanesulfinate) (CID 121237620) is zinc bis(2,2,2-trifluoroethanesulfinate).
What is the SMILES notation for zinc bis(2,2,2-trifluoroethanesulfinate)?
The canonical SMILES for zinc bis(2,2,2-trifluoroethanesulfinate) is O=S([O-])CC(F)(F)F.O=S([O-])CC(F)(F)F.[Zn+2].
What is the InChIKey of zinc bis(2,2,2-trifluoroethanesulfinate)?
The InChIKey is PUGHSSOALZPRJD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H3F3O2S.Zn/c2*3-2(4,5)1-8(6)7;/h2*1H2,(H,6,7);/q;;+2/p-2.
What are the key properties of zinc bis(2,2,2-trifluoroethanesulfinate)?
zinc bis(2,2,2-trifluoroethanesulfinate) has a molecular weight of 359.58 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2,2,2-trifluoroethanesulfinate) is sourced from PubChem (CID 121237620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).