2-fluoroethanesulfinate

C2H4FO2S- — CID 19939930

IUPAC2-fluoroethanesulfinate
SMILESO=S([O-])CCF
InChIInChI=1S/C2H5FO2S/c3-1-2-6(4)5/h1-2H2,(H,4,5)/p-1
InChIKeyHAGJNTNEOXTIHT-UHFFFAOYSA-M
MW111.12 g/mol
LogP-0.17
Rot. Bonds2

About 2-fluoroethanesulfinate

2-fluoroethanesulfinate (PubChem CID 19939930) has the molecular formula C2H4FO2S- and a molecular weight of 111.12 g/mol. Its IUPAC name is 2-fluoroethanesulfinate.

Molecular Properties

Compound Name2-fluoroethanesulfinate
PubChem CID19939930
Molecular FormulaC2H4FO2S-
Molecular Weight111.12 g/mol
Exact Mass110.99
IUPAC Name2-fluoroethanesulfinate
SMILESO=S([O-])CCF
InChIInChI=1S/C2H5FO2S/c3-1-2-6(4)5/h1-2H2,(H,4,5)/p-1
InChIKeyHAGJNTNEOXTIHT-UHFFFAOYSA-M
XLogP-0.17
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.12
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoroethanesulfinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethanesulfonyl fluoride, 2-fluoro-
CID 68029
Ethanesulfonyl chloride, 2-fluoro-
CID 69806
3-Fluoropropane-1-sulfonyl chloride
CID 21114841
2-Fluoroethane-1-sulfonic acid
CID 18400379
1-Fluoroethane-1-sulfonyl chloride
CID 23163370
3-Fluoropropanesulfonate
CID 132622
2,2,2-Trifluoroethanesulfinate
CID 21714686
Sodium 2-fluoroethane-1-sulfinate
CID 130538127
2-Fluoroethanesulfonate
CID 18400380
2-Fluoroethanesulfinic acid
CID 19939931
1-Fluoroethanesulfinate
CID 21612634
1-Fluoroethanesulfinic acid
CID 21612635

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethanesulfinate?
The IUPAC name of 2-fluoroethanesulfinate (CID 19939930) is 2-fluoroethanesulfinate.
What is the SMILES notation for 2-fluoroethanesulfinate?
The canonical SMILES for 2-fluoroethanesulfinate is O=S([O-])CCF.
What is the InChIKey of 2-fluoroethanesulfinate?
The InChIKey is HAGJNTNEOXTIHT-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5FO2S/c3-1-2-6(4)5/h1-2H2,(H,4,5)/p-1.
What are the key properties of 2-fluoroethanesulfinate?
2-fluoroethanesulfinate has a molecular weight of 111.12 g/mol, XLogP of -0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethanesulfinate is sourced from PubChem (CID 19939930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).