sodium 2-fluoroethanesulfinate

C2H4FNaO2S — CID 130538127

IUPACsodium 2-fluoroethanesulfinate
SMILESO=S([O-])CCF.[Na+]
InChIInChI=1S/C2H5FO2S.Na/c3-1-2-6(4)5;/h1-2H2,(H,4,5);/q;+1/p-1
InChIKeyXHGJLHOBWKPKAX-UHFFFAOYSA-M
MW134.11 g/mol
LogP-3.16
Rot. Bonds2

About sodium 2-fluoroethanesulfinate

sodium 2-fluoroethanesulfinate (PubChem CID 130538127) has the molecular formula C2H4FNaO2S and a molecular weight of 134.11 g/mol. Its IUPAC name is sodium 2-fluoroethanesulfinate.

Molecular Properties

Compound Namesodium 2-fluoroethanesulfinate
PubChem CID130538127
Molecular FormulaC2H4FNaO2S
Molecular Weight134.11 g/mol
Exact Mass133.98
IUPAC Namesodium 2-fluoroethanesulfinate
SMILESO=S([O-])CCF.[Na+]
InChIInChI=1S/C2H5FO2S.Na/c3-1-2-6(4)5;/h1-2H2,(H,4,5);/q;+1/p-1
InChIKeyXHGJLHOBWKPKAX-UHFFFAOYSA-M
XLogP-3.16
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.11
LogP ≤ 5-3.16
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

Ethanesulfonyl chloride, 2-fluoro-
CID 69806
3,3,3-Trifluoropropanesulfinic acid sodium salt
CID 50998692
3-Fluoropropanesulfonate
CID 132622
Sodium Ethanesulfinate
CID 22986214
2-Fluoroethanesulfonate
CID 18400380
2-Fluoroethanesulfinate
CID 19939930
2-Fluoroethanesulfinic acid
CID 19939931
1-Fluoroethanesulfinate
CID 21612634
3-Fluoropropane-1-sulfinate
CID 21652952
2-Fluoropropane-1-sulfinate
CID 23206811
1,3-Difluoropropane-2-sulfinate
CID 23206817
2,3-Difluoropropane-1-sulfinate
CID 23206829

Frequently Asked Questions

What is the IUPAC name of sodium 2-fluoroethanesulfinate?
The IUPAC name of sodium 2-fluoroethanesulfinate (CID 130538127) is sodium 2-fluoroethanesulfinate.
What is the SMILES notation for sodium 2-fluoroethanesulfinate?
The canonical SMILES for sodium 2-fluoroethanesulfinate is O=S([O-])CCF.[Na+].
What is the InChIKey of sodium 2-fluoroethanesulfinate?
The InChIKey is XHGJLHOBWKPKAX-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5FO2S.Na/c3-1-2-6(4)5;/h1-2H2,(H,4,5);/q;+1/p-1.
What are the key properties of sodium 2-fluoroethanesulfinate?
sodium 2-fluoroethanesulfinate has a molecular weight of 134.11 g/mol, XLogP of -3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-fluoroethanesulfinate is sourced from PubChem (CID 130538127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).