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

Details

Stereochemistry MIXED
Molecular Formula C9F17O4.K
Molecular Weight 534.1651
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Potassium 2,3,3,3-tetrafluoro-2-(1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy)propionate

SMILES

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

InChI

InChIKey=CIGILZLDPNHLAC-UHFFFAOYSA-M
InChI=1S/C9HF17O4.K/c10-2(1(27)28,5(14,15)16)29-9(25,26)4(13,7(20,21)22)30-8(23,24)3(11,12)6(17,18)19;/h(H,27,28);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C9F17O4
Molecular Weight 495.0668
Charge -1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula K
Molecular Weight 39.0983
Charge 1
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 Wed Apr 02 11:13:16 GMT 2025
Edited
by admin
on Wed Apr 02 11:13:16 GMT 2025
Record UNII
U3Y8K7YXG5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Potassium 2,3,3,3-tetrafluoro-2-(1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy)propionate
Systematic Name English
Propanoic acid, 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-, potassium salt
Preferred Name English
Code System Code Type Description
CAS
67118-57-4
Created by admin on Wed Apr 02 11:13:16 GMT 2025 , Edited by admin on Wed Apr 02 11:13:16 GMT 2025
PRIMARY
PUBCHEM
23696819
Created by admin on Wed Apr 02 11:13:16 GMT 2025 , Edited by admin on Wed Apr 02 11:13:16 GMT 2025
PRIMARY
EPA CompTox
DTXSID80880564
Created by admin on Wed Apr 02 11:13:16 GMT 2025 , Edited by admin on Wed Apr 02 11:13:16 GMT 2025
PRIMARY
FDA UNII
U3Y8K7YXG5
Created by admin on Wed Apr 02 11:13:16 GMT 2025 , Edited by admin on Wed Apr 02 11:13:16 GMT 2025
PRIMARY