1,1-difluoroethanesulfinate

C2H3F2O2S- — CID 57002230

IUPAC1,1-difluoroethanesulfinate
SMILESCC(F)(F)S(=O)[O-]
InChIInChI=1S/C2H4F2O2S/c1-2(3,4)7(5)6/h1H3,(H,5,6)/p-1
InChIKeyDWROSHCHGYEMGF-UHFFFAOYSA-M
MW129.11 g/mol
LogP0.48
Rot. Bonds1

About 1,1-difluoroethanesulfinate

1,1-difluoroethanesulfinate (PubChem CID 57002230) has the molecular formula C2H3F2O2S- and a molecular weight of 129.11 g/mol. Its IUPAC name is 1,1-difluoroethanesulfinate.

Molecular Properties

Compound Name1,1-difluoroethanesulfinate
PubChem CID57002230
Molecular FormulaC2H3F2O2S-
Molecular Weight129.11 g/mol
Exact Mass128.98
IUPAC Name1,1-difluoroethanesulfinate
SMILESCC(F)(F)S(=O)[O-]
InChIInChI=1S/C2H4F2O2S/c1-2(3,4)7(5)6/h1H3,(H,5,6)/p-1
InChIKeyDWROSHCHGYEMGF-UHFFFAOYSA-M
XLogP0.48
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Sodium 1,1-difluoroethane-1-sulfinate
CID 117065045
1,1-Difluoroethane-1-sulfonyl chloride
CID 126697136
Trifluoroethylsulfonylchloride
CID 19691189
2,2,2-Trifluoroethanesulfinate
CID 21714686
1,1,2-Trifluoroethanesulfinate
CID 19800889
1,1,2-Trifluoroethanesulfinic acid
CID 19800890
1,1-Difluoroethane-1-sulfonyl fluoride
CID 20676892
1,1,2,2-Tetrafluoroethane-1-sulfonate
CID 21263465
1,1,2,2-Tetrafluoroethanesulfinate
CID 21612632
1,1,2-Trifluoroethanesulfonate
CID 21999776
1,1,2,3,3,3-Hexafluoropropane-1-sulfinate
CID 22077322
2,2-Difluoroethanesulfinate
CID 23206833

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethanesulfinate?
The IUPAC name of 1,1-difluoroethanesulfinate (CID 57002230) is 1,1-difluoroethanesulfinate.
What is the SMILES notation for 1,1-difluoroethanesulfinate?
The canonical SMILES for 1,1-difluoroethanesulfinate is CC(F)(F)S(=O)[O-].
What is the InChIKey of 1,1-difluoroethanesulfinate?
The InChIKey is DWROSHCHGYEMGF-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4F2O2S/c1-2(3,4)7(5)6/h1H3,(H,5,6)/p-1.
What are the key properties of 1,1-difluoroethanesulfinate?
1,1-difluoroethanesulfinate has a molecular weight of 129.11 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethanesulfinate is sourced from PubChem (CID 57002230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).