1-fluoro-1-methylsulfonylethene

C3H5FO2S — CID 87154379

IUPAC1-fluoro-1-methylsulfonylethene
SMILESC=C(F)S(C)(=O)=O
InChIInChI=1S/C3H5FO2S/c1-3(4)7(2,5)6/h1H2,2H3
InChIKeyDOSQTUJZOAWYLK-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.47
Rot. Bonds1

About 1-fluoro-1-methylsulfonylethene

1-fluoro-1-methylsulfonylethene (PubChem CID 87154379) has the molecular formula C3H5FO2S and a molecular weight of 124.14 g/mol. Its IUPAC name is 1-fluoro-1-methylsulfonylethene.

Molecular Properties

Compound Name1-fluoro-1-methylsulfonylethene
PubChem CID87154379
Molecular FormulaC3H5FO2S
Molecular Weight124.14 g/mol
Exact Mass124.00
IUPAC Name1-fluoro-1-methylsulfonylethene
SMILESC=C(F)S(C)(=O)=O
InChIInChI=1S/C3H5FO2S/c1-3(4)7(2,5)6/h1H2,2H3
InChIKeyDOSQTUJZOAWYLK-UHFFFAOYSA-N
XLogP0.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-methylsulfonylethene?
The IUPAC name of 1-fluoro-1-methylsulfonylethene (CID 87154379) is 1-fluoro-1-methylsulfonylethene.
What is the SMILES notation for 1-fluoro-1-methylsulfonylethene?
The canonical SMILES for 1-fluoro-1-methylsulfonylethene is C=C(F)S(C)(=O)=O.
What is the InChIKey of 1-fluoro-1-methylsulfonylethene?
The InChIKey is DOSQTUJZOAWYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO2S/c1-3(4)7(2,5)6/h1H2,2H3.
What are the key properties of 1-fluoro-1-methylsulfonylethene?
1-fluoro-1-methylsulfonylethene has a molecular weight of 124.14 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-methylsulfonylethene is sourced from PubChem (CID 87154379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).