1,1-Difluoro-2-hydroxyethanesulfonate

HCID 57783303

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=S(=O)([O-])C(F)(F)CO
InChIKey: MMUMFYKJVCNQOL-UHFFFAOYSA-M
Molecular formula: C2H3F2O4S-
Average molar mass: 161.11 g/mol
Monoisotopic mass: 160.97201107

Names & identifiers

Preferred name: 1,1-Difluoro-2-hydroxyethanesulfonate
IUPAC: 1,1-difluoro-2-hydroxyethanesulfonate

Names & synonyms

1,1-difluoro-2-hydroxyethanesulfonate

Database identifiers

PubChem CID: 57783303

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 85.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: -1
Complexity: 164

Related reactions

4 records

New reaction record

HRID 157598 reaction equation

HRID 157598As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 700276 reaction equation

HRID 700276As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1182637 reaction equation

HRID 1182637As reactantuspto-grants-2014_03

HRID 1234936 reaction equation

HRID 1234936As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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