2-fluoroethanesulfonic acid

C2H5FO3S — CID 18400379

IUPAC2-fluoroethanesulfonic acid
SMILESO=S(=O)(O)CCF
InChIInChI=1S/C2H5FO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6)
InChIKeyZDINOLQCUBELQF-UHFFFAOYSA-N
MW128.12 g/mol
LogP-0.16
Rot. Bonds2

About 2-fluoroethanesulfonic acid

2-fluoroethanesulfonic acid (PubChem CID 18400379) has the molecular formula C2H5FO3S and a molecular weight of 128.12 g/mol. Its IUPAC name is 2-fluoroethanesulfonic acid.

Molecular Properties

Compound Name2-fluoroethanesulfonic acid
PubChem CID18400379
Molecular FormulaC2H5FO3S
Molecular Weight128.12 g/mol
Exact Mass127.99
IUPAC Name2-fluoroethanesulfonic acid
SMILESO=S(=O)(O)CCF
InChIInChI=1S/C2H5FO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6)
InChIKeyZDINOLQCUBELQF-UHFFFAOYSA-N
XLogP-0.16
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.12
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethanesulfonic acid?
The IUPAC name of 2-fluoroethanesulfonic acid (CID 18400379) is 2-fluoroethanesulfonic acid.
What is the SMILES notation for 2-fluoroethanesulfonic acid?
The canonical SMILES for 2-fluoroethanesulfonic acid is O=S(=O)(O)CCF.
What is the InChIKey of 2-fluoroethanesulfonic acid?
The InChIKey is ZDINOLQCUBELQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5FO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6).
What are the key properties of 2-fluoroethanesulfonic acid?
2-fluoroethanesulfonic acid has a molecular weight of 128.12 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethanesulfonic acid is sourced from PubChem (CID 18400379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).