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Details

Stereochemistry RACEMIC
Molecular Formula C7HF12O4.H4N
Molecular Weight 395.0997
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ammonium 2,2,3-trifluoro-3-(1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy)propanoate

SMILES

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

InChI

InChIKey=PLWXPXSPYCHPTF-UHFFFAOYSA-N
InChI=1S/C7H2F12O4.H3N/c8-1(3(9,10)2(20)21)22-5(13,14)4(11,12)6(15,16)23-7(17,18)19;/h1H,(H,20,21);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 C7H2F12O4
Molecular Weight 378.0692
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:27:26 GMT 2025
Edited
by admin
on Tue Apr 01 17:27:26 GMT 2025
Record UNII
LYR4WFU3BX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, ammonium salt (1:1)
Preferred Name English
Ammonium 2,2,3-trifluoro-3-(1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy)propanoate
Systematic Name English
Code System Code Type Description
PUBCHEM
87490983
Created by admin on Tue Apr 01 17:27:26 GMT 2025 , Edited by admin on Tue Apr 01 17:27:26 GMT 2025
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EPA CompTox
DTXSID00874026
Created by admin on Tue Apr 01 17:27:26 GMT 2025 , Edited by admin on Tue Apr 01 17:27:26 GMT 2025
PRIMARY
FDA UNII
LYR4WFU3BX
Created by admin on Tue Apr 01 17:27:26 GMT 2025 , Edited by admin on Tue Apr 01 17:27:26 GMT 2025
PRIMARY
CAS
958445-44-8
Created by admin on Tue Apr 01 17:27:26 GMT 2025 , Edited by admin on Tue Apr 01 17:27:26 GMT 2025
PRIMARY