2-ethylsulfonylacetonitrile;hydrofluoride

C4H8FNO2S — CID 174846567

IUPAC2-ethylsulfonylacetonitrile;hydrofluoride
SMILESCCS(=O)(=O)CC#N.F
InChIInChI=1S/C4H7NO2S.FH/c1-2-8(6,7)4-3-5;/h2,4H2,1H3;1H
InChIKeyYYOSMOMVPZCZLZ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.10
Rot. Bonds2

About 2-ethylsulfonylacetonitrile;hydrofluoride

2-ethylsulfonylacetonitrile;hydrofluoride (PubChem CID 174846567) has the molecular formula C4H8FNO2S and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-ethylsulfonylacetonitrile;hydrofluoride.

Molecular Properties

Compound Name2-ethylsulfonylacetonitrile;hydrofluoride
PubChem CID174846567
Molecular FormulaC4H8FNO2S
Molecular Weight153.18 g/mol
Exact Mass153.03
IUPAC Name2-ethylsulfonylacetonitrile;hydrofluoride
SMILESCCS(=O)(=O)CC#N.F
InChIInChI=1S/C4H7NO2S.FH/c1-2-8(6,7)4-3-5;/h2,4H2,1H3;1H
InChIKeyYYOSMOMVPZCZLZ-UHFFFAOYSA-N
XLogP0.10
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonylacetonitrile;hydrofluoride?
The IUPAC name of 2-ethylsulfonylacetonitrile;hydrofluoride (CID 174846567) is 2-ethylsulfonylacetonitrile;hydrofluoride.
What is the SMILES notation for 2-ethylsulfonylacetonitrile;hydrofluoride?
The canonical SMILES for 2-ethylsulfonylacetonitrile;hydrofluoride is CCS(=O)(=O)CC#N.F.
What is the InChIKey of 2-ethylsulfonylacetonitrile;hydrofluoride?
The InChIKey is YYOSMOMVPZCZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S.FH/c1-2-8(6,7)4-3-5;/h2,4H2,1H3;1H.
What are the key properties of 2-ethylsulfonylacetonitrile;hydrofluoride?
2-ethylsulfonylacetonitrile;hydrofluoride has a molecular weight of 153.18 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonylacetonitrile;hydrofluoride is sourced from PubChem (CID 174846567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).