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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H19F2NO2
Molecular Weight 271.303
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(p-(Bis(2-fluoroethyl)amino)phenyl)butyric acid

SMILES

OC(=O)CCCC1=CC=C(C=C1)N(CCF)CCF

InChI

InChIKey=NAFZHCNIHFKXOC-UHFFFAOYSA-N
InChI=1S/C14H19F2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C14H19F2NO2
Molecular Weight 271.303
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 Sat Dec 16 13:05:49 GMT 2023
Edited
by admin
on Sat Dec 16 13:05:49 GMT 2023
Record UNII
HRQ576LM4R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(p-(Bis(2-fluoroethyl)amino)phenyl)butyric acid
Systematic Name English
Butyric acid, 4-(p-(bis(2-fluoroethyl)amino)phenyl)-
Systematic Name English
NSC-82835
Code English
4-[Bis(2-fluoroethyl)amino]benzenebutanoic acid
Systematic Name English
4-[4-[bis(2-fluoroethyl)amino]phenyl]butanoic acid
Systematic Name English
Benzenebutanoic acid, 4-[bis(2-fluoroethyl)amino]-
Systematic Name English
Code System Code Type Description
NSC
82835
Created by admin on Sat Dec 16 13:05:49 GMT 2023 , Edited by admin on Sat Dec 16 13:05:49 GMT 2023
PRIMARY
PUBCHEM
20030
Created by admin on Sat Dec 16 13:05:49 GMT 2023 , Edited by admin on Sat Dec 16 13:05:49 GMT 2023
PRIMARY
FDA UNII
HRQ576LM4R
Created by admin on Sat Dec 16 13:05:49 GMT 2023 , Edited by admin on Sat Dec 16 13:05:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID00193926
Created by admin on Sat Dec 16 13:05:49 GMT 2023 , Edited by admin on Sat Dec 16 13:05:49 GMT 2023
PRIMARY
CAS
4092-86-8
Created by admin on Sat Dec 16 13:05:49 GMT 2023 , Edited by admin on Sat Dec 16 13:05:49 GMT 2023
PRIMARY