2-fluoroethanesulfonate

C2H4FO3S- — CID 18400380

IUPAC2-fluoroethanesulfonate
SMILESO=S(=O)([O-])CCF
InChIInChI=1S/C2H5FO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6)/p-1
InChIKeyZDINOLQCUBELQF-UHFFFAOYSA-M
MW127.12 g/mol
LogP-0.50
Rot. Bonds2

About 2-fluoroethanesulfonate

2-fluoroethanesulfonate (PubChem CID 18400380) has the molecular formula C2H4FO3S- and a molecular weight of 127.12 g/mol. Its IUPAC name is 2-fluoroethanesulfonate.

Molecular Properties

Compound Name2-fluoroethanesulfonate
PubChem CID18400380
Molecular FormulaC2H4FO3S-
Molecular Weight127.12 g/mol
Exact Mass126.99
IUPAC Name2-fluoroethanesulfonate
SMILESO=S(=O)([O-])CCF
InChIInChI=1S/C2H5FO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6)/p-1
InChIKeyZDINOLQCUBELQF-UHFFFAOYSA-M
XLogP-0.50
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethanesulfonate
CID 3717105
Ethanesulfonyl fluoride, 2-fluoro-
CID 68029
Propanesulfonyl fluoride, 3-fluoro-
CID 68033
Ethanesulfonyl chloride, 2-fluoro-
CID 69806
Ethanesulfonyl fluoride
CID 522584
3-Fluoropropane-1-sulfonyl chloride
CID 21114841
2-Fluoroethane-1-sulfonic acid
CID 18400379
1-Fluoroethane-1-sulfonyl chloride
CID 23163370
2-Fluoropropane-1-sulfonyl chloride
CID 55263295
3-Fluoropropanesulfonate
CID 132622
Sodium 2-fluoroethane-1-sulfinate
CID 130538127
CID 72639673
CID 72639673

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethanesulfonate?
The IUPAC name of 2-fluoroethanesulfonate (CID 18400380) is 2-fluoroethanesulfonate.
What is the SMILES notation for 2-fluoroethanesulfonate?
The canonical SMILES for 2-fluoroethanesulfonate is O=S(=O)([O-])CCF.
What is the InChIKey of 2-fluoroethanesulfonate?
The InChIKey is ZDINOLQCUBELQF-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5FO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6)/p-1.
What are the key properties of 2-fluoroethanesulfonate?
2-fluoroethanesulfonate has a molecular weight of 127.12 g/mol, XLogP of -0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethanesulfonate is sourced from PubChem (CID 18400380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).