(E)-1-fluoro-2-methylsulfonylethene

C3H5FO2S — CID 87155037

IUPAC(E)-1-fluoro-2-methylsulfonylethene
SMILESCS(=O)(=O)/C=C/F
InChIInChI=1S/C3H5FO2S/c1-7(5,6)3-2-4/h2-3H,1H3/b3-2+
InChIKeyNYDUKDJGOPKPRJ-NSCUHMNNSA-N
MW124.14 g/mol
LogP0.47
Rot. Bonds1

About (E)-1-fluoro-2-methylsulfonylethene

(E)-1-fluoro-2-methylsulfonylethene (PubChem CID 87155037) has the molecular formula C3H5FO2S and a molecular weight of 124.14 g/mol. Its IUPAC name is (E)-1-fluoro-2-methylsulfonylethene.

Molecular Properties

Compound Name(E)-1-fluoro-2-methylsulfonylethene
PubChem CID87155037
Molecular FormulaC3H5FO2S
Molecular Weight124.14 g/mol
Exact Mass124.00
IUPAC Name(E)-1-fluoro-2-methylsulfonylethene
SMILESCS(=O)(=O)/C=C/F
InChIInChI=1S/C3H5FO2S/c1-7(5,6)3-2-4/h2-3H,1H3/b3-2+
InChIKeyNYDUKDJGOPKPRJ-NSCUHMNNSA-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 (E)-1-fluoro-2-methylsulfonylethene?
The IUPAC name of (E)-1-fluoro-2-methylsulfonylethene (CID 87155037) is (E)-1-fluoro-2-methylsulfonylethene.
What is the SMILES notation for (E)-1-fluoro-2-methylsulfonylethene?
The canonical SMILES for (E)-1-fluoro-2-methylsulfonylethene is CS(=O)(=O)/C=C/F.
What is the InChIKey of (E)-1-fluoro-2-methylsulfonylethene?
The InChIKey is NYDUKDJGOPKPRJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C3H5FO2S/c1-7(5,6)3-2-4/h2-3H,1H3/b3-2+.
What are the key properties of (E)-1-fluoro-2-methylsulfonylethene?
(E)-1-fluoro-2-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 (E)-1-fluoro-2-methylsulfonylethene is sourced from PubChem (CID 87155037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).