U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C6F11O4.H4N
Molecular Weight 363.0827
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ammonium perfluoro-3,6-dioxaoctanoate

SMILES

[NH4+].[O-]C(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F

InChI

InChIKey=UEVSRUAUNBKSPD-UHFFFAOYSA-N
InChI=1S/C6HF11O4.H3N/c7-2(8,1(18)19)20-5(14,15)6(16,17)21-4(12,13)3(9,10)11;/h(H,18,19);1H3

HIDE SMILES / InChI

Molecular Formula H3N
Molecular Weight 17.0305
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6HF11O4
Molecular Weight 346.0522
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:49:47 GMT 2025
Edited
by admin
on Tue Apr 01 16:49:47 GMT 2025
Record UNII
N5G9CTB3KK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2-Difluoro[1,1,2,2-tetrafluoro-2-(pentafluoroethoxy)ethoxy]acetic acid ammonium salt
Preferred Name English
Ammonium perfluoro-3,6-dioxaoctanoate
Systematic Name English
Acetic acid, difluoro[1,1,2,2-tetrafluoro-2-(pentafluoroethoxy)ethoxy]-, ammonium salt
Systematic Name English
Acetic acid, 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-, ammonium salt (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
46221768
Created by admin on Tue Apr 01 16:49:47 GMT 2025 , Edited by admin on Tue Apr 01 16:49:47 GMT 2025
PRIMARY
FDA UNII
N5G9CTB3KK
Created by admin on Tue Apr 01 16:49:47 GMT 2025 , Edited by admin on Tue Apr 01 16:49:47 GMT 2025
PRIMARY
CAS
908020-52-0
Created by admin on Tue Apr 01 16:49:47 GMT 2025 , Edited by admin on Tue Apr 01 16:49:47 GMT 2025
PRIMARY
EPA CompTox
DTXSID50893409
Created by admin on Tue Apr 01 16:49:47 GMT 2025 , Edited by admin on Tue Apr 01 16:49:47 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE