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Details

Stereochemistry ACHIRAL
Molecular Formula C13H15F2NO3
Molecular Weight 271.2599
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[Bis(2-fluoroethyl)amino]-?-oxobenzenepropanoic acid

SMILES

OC(=O)C(=O)CC1=CC=C(C=C1)N(CCF)CCF

InChI

InChIKey=FKGIXUVBZGIBIJ-UHFFFAOYSA-N
InChI=1S/C13H15F2NO3/c14-5-7-16(8-6-15)11-3-1-10(2-4-11)9-12(17)13(18)19/h1-4H,5-9H2,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C13H15F2NO3
Molecular Weight 271.2599
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 19:53:47 GMT 2025
Edited
by admin
on Tue Apr 01 19:53:47 GMT 2025
Record UNII
Z2D38K3QQS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[Bis(2-fluoroethyl)amino]-?-oxobenzenepropanoic acid
Systematic Name English
NSC-81712
Preferred Name English
Benzenepropanoic acid, 4-[bis(2-fluoroethyl)amino]-?-oxo-
Systematic Name English
Pyruvic acid, 3-(p-(bis-(2-fluoroethyl)amino)phenyl)-
Common Name English
Code System Code Type Description
FDA UNII
Z2D38K3QQS
Created by admin on Tue Apr 01 19:53:47 GMT 2025 , Edited by admin on Tue Apr 01 19:53:47 GMT 2025
PRIMARY
CAS
4252-36-2
Created by admin on Tue Apr 01 19:53:47 GMT 2025 , Edited by admin on Tue Apr 01 19:53:47 GMT 2025
PRIMARY
NSC
81712
Created by admin on Tue Apr 01 19:53:47 GMT 2025 , Edited by admin on Tue Apr 01 19:53:47 GMT 2025
PRIMARY
EPA CompTox
DTXSID60195305
Created by admin on Tue Apr 01 19:53:47 GMT 2025 , Edited by admin on Tue Apr 01 19:53:47 GMT 2025
PRIMARY
PUBCHEM
96614
Created by admin on Tue Apr 01 19:53:47 GMT 2025 , Edited by admin on Tue Apr 01 19:53:47 GMT 2025
PRIMARY