ethanesulfonyl fluoride

C2H5FO2S — CID 522584

IUPACethanesulfonyl fluoride
SMILESCCS(=O)(=O)F
InChIInChI=1S/C2H5FO2S/c1-2-6(3,4)5/h2H2,1H3
InChIKeyOIBMEBLCOQCFIT-UHFFFAOYSA-N
MW112.12 g/mol
LogP0.31
Rot. Bonds1

About ethanesulfonyl fluoride

ethanesulfonyl fluoride (PubChem CID 522584) has the molecular formula C2H5FO2S and a molecular weight of 112.12 g/mol. Its IUPAC name is ethanesulfonyl fluoride.

Molecular Properties

Compound Nameethanesulfonyl fluoride
PubChem CID522584
Molecular FormulaC2H5FO2S
Molecular Weight112.12 g/mol
Exact Mass112.00
IUPAC Nameethanesulfonyl fluoride
SMILESCCS(=O)(=O)F
InChIInChI=1S/C2H5FO2S/c1-2-6(3,4)5/h2H2,1H3
InChIKeyOIBMEBLCOQCFIT-UHFFFAOYSA-N
XLogP0.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.12
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethanesulfonyl chloride
CID 11667
Ethanesulfonate
CID 3717105
1-Butanesulfonyl fluoride
CID 12615
Sodium ethanesulphonate
CID 4192170
Ethanesulfonyl fluoride, 2-fluoro-
CID 68029
Propane-1-sulfonyl fluoride
CID 13721938
1-Fluoroethane-1-sulfonyl chloride
CID 23163370
Propane-2-sulfonyl fluoride
CID 14906825
1-Propanesulfonate
CID 4431756
Propane-2-sulfonate
CID 498034
Ethane-1,1-disulfonyl fluoride
CID 15579786
Ethanesulfinate
CID 277298

Frequently Asked Questions

What is the IUPAC name of ethanesulfonyl fluoride?
The IUPAC name of ethanesulfonyl fluoride (CID 522584) is ethanesulfonyl fluoride.
What is the SMILES notation for ethanesulfonyl fluoride?
The canonical SMILES for ethanesulfonyl fluoride is CCS(=O)(=O)F.
What is the InChIKey of ethanesulfonyl fluoride?
The InChIKey is OIBMEBLCOQCFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5FO2S/c1-2-6(3,4)5/h2H2,1H3.
What are the key properties of ethanesulfonyl fluoride?
ethanesulfonyl fluoride has a molecular weight of 112.12 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanesulfonyl fluoride is sourced from PubChem (CID 522584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).