ChemFOnt: Showing chemical card for Ethanesulfonic acid, 2-(1-(difluoro-((trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-, polymer with tetrafluoroethane (CFc000013411)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:01:47 UTC

Chemfont ID

CFc000013411

Molecule Identification

Common Name

Ethanesulfonic acid, 2-(1-(difluoro-((trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-, polymer with tetrafluoroethane

Definition

Ethanesulfonic acid, 2-(1-(difluoro-((trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-, polymer with tetrafluoroethane is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]").
Ethanesulfonic acid, 2-(1-(difluoro-((trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-, polymer with tetrafluoroethane belongs to the family of Sulfonic Acids and Derivatives. These are compounds containing a sulfonic acid or derivative, with the general structure RS(=O)2X (R=alkyl,aryl; X=any heteroatom).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Nafion	MeSH
Perfluorosulfonic acid	MeSH
Sodium perfluorosulfonate	MeSH

Chemical Formula

C₉HF₁₇O₅S

Average Molecular Weight

544.139

Monoisotopic Molecular Weight

543.927323317

IUPAC Name

1,1,2,2-tetrafluoro-2-({1,1,1,2,3,3-hexafluoro-3-[(trifluoroethenyl)oxy]propan-2-yl}oxy)ethane-1-sulfonic acid; tetrafluoroethene

Traditional Name

1,1,2,2-tetrafluoro-2-({1,1,1,2,3,3-hexafluoro-3-[(trifluoroethenyl)oxy]propan-2-yl}oxy)ethanesulfonic acid; tetrafluoroethylene

CAS Registry Number

31175-20-9

SMILES

FC(F)=C(F)F.OS(=O)(=O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F

InChI Identifier

InChI=1S/C7HF13O5S.C2F4/c8-1(9)2(10)24-5(15,16)3(11,4(12,13)14)25-6(17,18)7(19,20)26(21,22)23;3-1(4)2(5)6/h(H,21,22,23);

InChI Key

FOYUGSIADQEOEK-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as organosulfonic acids. Organosulfonic acids are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Organic sulfonic acids and derivatives

Sub Class

Organosulfonic acids and derivatives

Direct Parent

Organosulfonic acids

Alternative Parents

Substituents

Organosulfonic acid
Sulfonyl
Alkanesulfonic acid
Vinyl fluoride
Vinyl halide
Haloalkene
Fluoroalkene
Organic oxide
Organic oxygen compound
Organosulfur compound
Organooxygen compound
Organofluoride
Alkyl fluoride
Hydrocarbon derivative
Alkyl halide
Organohalogen compound
Aliphatic acyclic compound

Molecular Framework

Not Available

External Descriptors

Not Available

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Membrane (HMDB: HMDB0032254)
Cell membrane (HMDB: HMDB0032254)

Source

Endogenous

Endogenous (HMDB: HMDB0032254)

Exogenous

Food

Food (HMDB: HMDB0032254)

Exogenous (HMDB: HMDB0032254)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
logP	2.34	ChemAxon
pKa (Strongest Acidic)	-3.3	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	72.83 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	70.98 m³·mol⁻¹	ChemAxon
Polarizability	21.14 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0032254

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB009364

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

61889

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Ethanesulfonic acid, 2-(1-(difluoro-((trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-, polymer with tetrafluoroethane (CFc000013411)

MOL for CFc000013411 (Ethanesulfonic acid, 2-(1-(difluoro-((trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-, polymer with tetrafluoroethane)

3D MOL for CFc000013411 (Ethanesulfonic acid, 2-(1-(difluoro-((trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-, polymer with tetrafluoroethane)

3D SDF for CFc000013411 (Ethanesulfonic acid, 2-(1-(difluoro-((trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-, polymer with tetrafluoroethane)

3D-SDF for CFc000013411 (Ethanesulfonic acid, 2-(1-(difluoro-((trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-, polymer with tetrafluoroethane)

PDB for CFc000013411 (Ethanesulfonic acid, 2-(1-(difluoro-((trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-, polymer with tetrafluoroethane)

3D PDB for CFc000013411 (Ethanesulfonic acid, 2-(1-(difluoro-((trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-, polymer with tetrafluoroethane)

SMILES for CFc000013411 (Ethanesulfonic acid, 2-(1-(difluoro-((trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-, polymer with tetrafluoroethane)

INCHI for CFc000013411 (Ethanesulfonic acid, 2-(1-(difluoro-((trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-, polymer with tetrafluoroethane)

Structure for CFc000013411 (Ethanesulfonic acid, 2-(1-(difluoro-((trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-, polymer with tetrafluoroethane)

3D Structure for CFc000013411 (Ethanesulfonic acid, 2-(1-(difluoro-((trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-, polymer with tetrafluoroethane)