1-fluoroethanesulfonyl chloride

C2H4ClFO2S — CID 23163370

IUPAC1-fluoroethanesulfonyl chloride
SMILESCC(F)S(=O)(=O)Cl
InChIInChI=1S/C2H4ClFO2S/c1-2(4)7(3,5)6/h2H,1H3
InChIKeyKZGBSCMDAASZNG-UHFFFAOYSA-N
MW146.57 g/mol
LogP0.87
Rot. Bonds1

About 1-fluoroethanesulfonyl chloride

1-fluoroethanesulfonyl chloride (PubChem CID 23163370) has the molecular formula C2H4ClFO2S and a molecular weight of 146.57 g/mol. Its IUPAC name is 1-fluoroethanesulfonyl chloride.

Molecular Properties

Compound Name1-fluoroethanesulfonyl chloride
PubChem CID23163370
Molecular FormulaC2H4ClFO2S
Molecular Weight146.57 g/mol
Exact Mass145.96
IUPAC Name1-fluoroethanesulfonyl chloride
SMILESCC(F)S(=O)(=O)Cl
InChIInChI=1S/C2H4ClFO2S/c1-2(4)7(3,5)6/h2H,1H3
InChIKeyKZGBSCMDAASZNG-UHFFFAOYSA-N
XLogP0.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.57
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethanesulfonyl chloride
CID 11667
2-Propanesulfonyl chloride
CID 82408
1-Propanesulfonyl chloride
CID 66279
Ethanesulfonate
CID 3717105
Ethanesulfonyl chloride, 2-fluoro-
CID 69806
Ethanesulfonyl fluoride
CID 522584
3-Fluoropropane-1-sulfonyl chloride
CID 21114841
2-Fluoropropane-1-sulfonyl chloride
CID 55263295
1,1,1-Trifluoropropane-2-sulfonyl chloride
CID 73994686
2,2-Difluoropropane-1-sulfonyl chloride
CID 84656710
3-Fluoropropanesulfonate
CID 132622
2-Fluoropropane-2-sulfonyl chloride
CID 84651137

Frequently Asked Questions

What is the IUPAC name of 1-fluoroethanesulfonyl chloride?
The IUPAC name of 1-fluoroethanesulfonyl chloride (CID 23163370) is 1-fluoroethanesulfonyl chloride.
What is the SMILES notation for 1-fluoroethanesulfonyl chloride?
The canonical SMILES for 1-fluoroethanesulfonyl chloride is CC(F)S(=O)(=O)Cl.
What is the InChIKey of 1-fluoroethanesulfonyl chloride?
The InChIKey is KZGBSCMDAASZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4ClFO2S/c1-2(4)7(3,5)6/h2H,1H3.
What are the key properties of 1-fluoroethanesulfonyl chloride?
1-fluoroethanesulfonyl chloride has a molecular weight of 146.57 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethanesulfonyl chloride is sourced from PubChem (CID 23163370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).