1-fluoro-2-methylsulfonylethane

C3H7FO2S — CID 15671389

IUPAC1-fluoro-2-methylsulfonylethane
SMILESCS(=O)(=O)CCF
InChIInChI=1S/C3H7FO2S/c1-7(5,6)3-2-4/h2-3H2,1H3
InChIKeyDQVHWQVQDKWNQA-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.00
Rot. Bonds2

About 1-fluoro-2-methylsulfonylethane

1-fluoro-2-methylsulfonylethane (PubChem CID 15671389) has the molecular formula C3H7FO2S and a molecular weight of 126.15 g/mol. Its IUPAC name is 1-fluoro-2-methylsulfonylethane.

Molecular Properties

Compound Name1-fluoro-2-methylsulfonylethane
PubChem CID15671389
Molecular FormulaC3H7FO2S
Molecular Weight126.15 g/mol
Exact Mass126.02
IUPAC Name1-fluoro-2-methylsulfonylethane
SMILESCS(=O)(=O)CCF
InChIInChI=1S/C3H7FO2S/c1-7(5,6)3-2-4/h2-3H2,1H3
InChIKeyDQVHWQVQDKWNQA-UHFFFAOYSA-N
XLogP0.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methylsulfonylethane?
The IUPAC name of 1-fluoro-2-methylsulfonylethane (CID 15671389) is 1-fluoro-2-methylsulfonylethane.
What is the SMILES notation for 1-fluoro-2-methylsulfonylethane?
The canonical SMILES for 1-fluoro-2-methylsulfonylethane is CS(=O)(=O)CCF.
What is the InChIKey of 1-fluoro-2-methylsulfonylethane?
The InChIKey is DQVHWQVQDKWNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FO2S/c1-7(5,6)3-2-4/h2-3H2,1H3.
What are the key properties of 1-fluoro-2-methylsulfonylethane?
1-fluoro-2-methylsulfonylethane has a molecular weight of 126.15 g/mol, XLogP of 0.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methylsulfonylethane is sourced from PubChem (CID 15671389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).