ethyl methanesulfonate;hydrofluoride

C3H9FO3S — CID 174826290

IUPACethyl methanesulfonate;hydrofluoride
SMILESCCOS(C)(=O)=O.F
InChIInChI=1S/C3H8O3S.FH/c1-3-6-7(2,4)5;/h3H2,1-2H3;1H
InChIKeyOQQAPJORWKTZNW-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.14
Rot. Bonds2

About ethyl methanesulfonate;hydrofluoride

ethyl methanesulfonate;hydrofluoride (PubChem CID 174826290) has the molecular formula C3H9FO3S and a molecular weight of 144.17 g/mol. Its IUPAC name is ethyl methanesulfonate;hydrofluoride.

Molecular Properties

Compound Nameethyl methanesulfonate;hydrofluoride
PubChem CID174826290
Molecular FormulaC3H9FO3S
Molecular Weight144.17 g/mol
Exact Mass144.03
IUPAC Nameethyl methanesulfonate;hydrofluoride
SMILESCCOS(C)(=O)=O.F
InChIInChI=1S/C3H8O3S.FH/c1-3-6-7(2,4)5;/h3H2,1-2H3;1H
InChIKeyOQQAPJORWKTZNW-UHFFFAOYSA-N
XLogP0.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl methanesulfonate;hydrofluoride?
The IUPAC name of ethyl methanesulfonate;hydrofluoride (CID 174826290) is ethyl methanesulfonate;hydrofluoride.
What is the SMILES notation for ethyl methanesulfonate;hydrofluoride?
The canonical SMILES for ethyl methanesulfonate;hydrofluoride is CCOS(C)(=O)=O.F.
What is the InChIKey of ethyl methanesulfonate;hydrofluoride?
The InChIKey is OQQAPJORWKTZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3S.FH/c1-3-6-7(2,4)5;/h3H2,1-2H3;1H.
What are the key properties of ethyl methanesulfonate;hydrofluoride?
ethyl methanesulfonate;hydrofluoride has a molecular weight of 144.17 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl methanesulfonate;hydrofluoride is sourced from PubChem (CID 174826290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).