fluoromethyl ethenesulfonate

C3H5FO3S — CID 90383884

IUPACfluoromethyl ethenesulfonate
SMILESC=CS(=O)(=O)OCF
InChIInChI=1S/C3H5FO3S/c1-2-8(5,6)7-3-4/h2H,1,3H2
InChIKeyOQJAJQHHOKDEDG-UHFFFAOYSA-N
MW140.13 g/mol
LogP0.40
Rot. Bonds3

About fluoromethyl ethenesulfonate

fluoromethyl ethenesulfonate (PubChem CID 90383884) has the molecular formula C3H5FO3S and a molecular weight of 140.13 g/mol. Its IUPAC name is fluoromethyl ethenesulfonate.

Molecular Properties

Compound Namefluoromethyl ethenesulfonate
PubChem CID90383884
Molecular FormulaC3H5FO3S
Molecular Weight140.13 g/mol
Exact Mass139.99
IUPAC Namefluoromethyl ethenesulfonate
SMILESC=CS(=O)(=O)OCF
InChIInChI=1S/C3H5FO3S/c1-2-8(5,6)7-3-4/h2H,1,3H2
InChIKeyOQJAJQHHOKDEDG-UHFFFAOYSA-N
XLogP0.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.13
LogP ≤ 50.40
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 fluoromethyl ethenesulfonate?
The IUPAC name of fluoromethyl ethenesulfonate (CID 90383884) is fluoromethyl ethenesulfonate.
What is the SMILES notation for fluoromethyl ethenesulfonate?
The canonical SMILES for fluoromethyl ethenesulfonate is C=CS(=O)(=O)OCF.
What is the InChIKey of fluoromethyl ethenesulfonate?
The InChIKey is OQJAJQHHOKDEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO3S/c1-2-8(5,6)7-3-4/h2H,1,3H2.
What are the key properties of fluoromethyl ethenesulfonate?
fluoromethyl ethenesulfonate has a molecular weight of 140.13 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl ethenesulfonate is sourced from PubChem (CID 90383884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).