2-fluoroethanesulfinic acid

C2H5FO2S — CID 19939931

IUPAC2-fluoroethanesulfinic acid
SMILESO=S(O)CCF
InChIInChI=1S/C2H5FO2S/c3-1-2-6(4)5/h1-2H2,(H,4,5)
InChIKeyHAGJNTNEOXTIHT-UHFFFAOYSA-N
MW112.12 g/mol
LogP0.18
Rot. Bonds2

About 2-fluoroethanesulfinic acid

2-fluoroethanesulfinic acid (PubChem CID 19939931) has the molecular formula C2H5FO2S and a molecular weight of 112.12 g/mol. Its IUPAC name is 2-fluoroethanesulfinic acid.

Molecular Properties

Compound Name2-fluoroethanesulfinic acid
PubChem CID19939931
Molecular FormulaC2H5FO2S
Molecular Weight112.12 g/mol
Exact Mass112.00
IUPAC Name2-fluoroethanesulfinic acid
SMILESO=S(O)CCF
InChIInChI=1S/C2H5FO2S/c3-1-2-6(4)5/h1-2H2,(H,4,5)
InChIKeyHAGJNTNEOXTIHT-UHFFFAOYSA-N
XLogP0.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.12
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethanesulfinic acid
CID 435496
2-Fluoroethane-1-sulfonic acid
CID 18400379
Sodium 2-fluoroethane-1-sulfinate
CID 130538127
2,2-Difluoropropane-1-sulfinic acid
CID 135993223
3-Fluoropropane-1-sulfonic acid
CID 132623
2,2,2-trifluoroethanesulfinic Acid
CID 11789627
1,2-Difluoroethanesulfonic acid
CID 17888431
2,2-Difluoroethanesulfonic acid
CID 18318774
2-Fluoroethanesulfonate
CID 18400380
1-Fluoropropane-1-sulfonic acid
CID 19070317
2-Fluoroethanesulfinate
CID 19939930
1-Fluoroethanesulfinate
CID 21612634

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethanesulfinic acid?
The IUPAC name of 2-fluoroethanesulfinic acid (CID 19939931) is 2-fluoroethanesulfinic acid.
What is the SMILES notation for 2-fluoroethanesulfinic acid?
The canonical SMILES for 2-fluoroethanesulfinic acid is O=S(O)CCF.
What is the InChIKey of 2-fluoroethanesulfinic acid?
The InChIKey is HAGJNTNEOXTIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5FO2S/c3-1-2-6(4)5/h1-2H2,(H,4,5).
What are the key properties of 2-fluoroethanesulfinic acid?
2-fluoroethanesulfinic acid has a molecular weight of 112.12 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethanesulfinic acid is sourced from PubChem (CID 19939931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).