1-fluoroethoxymethanesulfonic acid

C3H7FO4S — CID 23382961

IUPAC1-fluoroethoxymethanesulfonic acid
SMILESCC(F)OCS(=O)(=O)O
InChIInChI=1S/C3H7FO4S/c1-3(4)8-2-9(5,6)7/h3H,2H2,1H3,(H,5,6,7)
InChIKeyYTDOTSZLSRHIKA-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.16
Rot. Bonds3

About 1-fluoroethoxymethanesulfonic acid

1-fluoroethoxymethanesulfonic acid (PubChem CID 23382961) has the molecular formula C3H7FO4S and a molecular weight of 158.15 g/mol. Its IUPAC name is 1-fluoroethoxymethanesulfonic acid.

Molecular Properties

Compound Name1-fluoroethoxymethanesulfonic acid
PubChem CID23382961
Molecular FormulaC3H7FO4S
Molecular Weight158.15 g/mol
Exact Mass158.00
IUPAC Name1-fluoroethoxymethanesulfonic acid
SMILESCC(F)OCS(=O)(=O)O
InChIInChI=1S/C3H7FO4S/c1-3(4)8-2-9(5,6)7/h3H,2H2,1H3,(H,5,6,7)
InChIKeyYTDOTSZLSRHIKA-UHFFFAOYSA-N
XLogP0.16
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

ethane-1,1-diol;fluoromethanesulfonic acid
CID 87128075
1,1-difluoroethane;sulfurochloridic acid
CID 161235804
1-fluoro-1-(fluoromethoxy)ethane
CID 18924253
2-sulfanylpropane-1-sulfonic acid
CID 14389616
sulfuric acid;tetramethylphosphanium
CID 87132357
6-oxoheptan-3-yloxymethanesulfonic acid
CID 88733130
1,1-difluoro-2-(1-fluoroethoxy)ethane
CID 20663736
[2-oxo-2-(sulfomethoxy)-1-(sulfomethoxysulfonyl)ethoxy]methanesulfonic acid
CID 165100193
2,3-bis(sulfanyl)butane-1-sulfonic acid
CID 18953174
3-ethoxybutane-1-sulfonic acid
CID 89375212
diethoxy-hydroxy-methylphosphanium;trifluoromethanesulfonic acid
CID 174469995
1-fluoroethyl methanesulfonate
CID 21114842

Frequently Asked Questions

What is the IUPAC name of 1-fluoroethoxymethanesulfonic acid?
The IUPAC name of 1-fluoroethoxymethanesulfonic acid (CID 23382961) is 1-fluoroethoxymethanesulfonic acid.
What is the SMILES notation for 1-fluoroethoxymethanesulfonic acid?
The canonical SMILES for 1-fluoroethoxymethanesulfonic acid is CC(F)OCS(=O)(=O)O.
What is the InChIKey of 1-fluoroethoxymethanesulfonic acid?
The InChIKey is YTDOTSZLSRHIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FO4S/c1-3(4)8-2-9(5,6)7/h3H,2H2,1H3,(H,5,6,7).
What are the key properties of 1-fluoroethoxymethanesulfonic acid?
1-fluoroethoxymethanesulfonic acid has a molecular weight of 158.15 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethoxymethanesulfonic acid is sourced from PubChem (CID 23382961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).