2,2-difluoroethanesulfinate

C2H3F2O2S- — CID 23206833

IUPAC2,2-difluoroethanesulfinate
SMILESO=S([O-])CC(F)F
InChIInChI=1S/C2H4F2O2S/c3-2(4)1-7(5)6/h2H,1H2,(H,5,6)/p-1
InChIKeyXCLLWRRURQTOTN-UHFFFAOYSA-M
MW129.11 g/mol
LogP0.13
Rot. Bonds2

About 2,2-difluoroethanesulfinate

2,2-difluoroethanesulfinate (PubChem CID 23206833) has the molecular formula C2H3F2O2S- and a molecular weight of 129.11 g/mol. Its IUPAC name is 2,2-difluoroethanesulfinate.

Molecular Properties

Compound Name2,2-difluoroethanesulfinate
PubChem CID23206833
Molecular FormulaC2H3F2O2S-
Molecular Weight129.11 g/mol
Exact Mass128.98
IUPAC Name2,2-difluoroethanesulfinate
SMILESO=S([O-])CC(F)F
InChIInChI=1S/C2H4F2O2S/c3-2(4)1-7(5)6/h2H,1H2,(H,5,6)/p-1
InChIKeyXCLLWRRURQTOTN-UHFFFAOYSA-M
XLogP0.13
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethanesulfinate?
The IUPAC name of 2,2-difluoroethanesulfinate (CID 23206833) is 2,2-difluoroethanesulfinate.
What is the SMILES notation for 2,2-difluoroethanesulfinate?
The canonical SMILES for 2,2-difluoroethanesulfinate is O=S([O-])CC(F)F.
What is the InChIKey of 2,2-difluoroethanesulfinate?
The InChIKey is XCLLWRRURQTOTN-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4F2O2S/c3-2(4)1-7(5)6/h2H,1H2,(H,5,6)/p-1.
What are the key properties of 2,2-difluoroethanesulfinate?
2,2-difluoroethanesulfinate has a molecular weight of 129.11 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethanesulfinate is sourced from PubChem (CID 23206833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).