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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H15BrF2
Molecular Weight 325.191
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1'-(4-BROMOBUTYLIDENE)BIS(4-FLUOROBENZENE)

SMILES

FC1=CC=C(C=C1)C(CCCBr)C2=CC=C(F)C=C2

InChI

InChIKey=AJHQYQYRIDMWON-UHFFFAOYSA-N
InChI=1S/C16H15BrF2/c17-11-1-2-16(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10,16H,1-2,11H2

HIDE SMILES / InChI

Molecular Formula C16H15BrF2
Molecular Weight 325.191
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 19:24:21 GMT 2025
Edited
by admin
on Tue Apr 01 19:24:21 GMT 2025
Record UNII
Z7ZG44C3HP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1'-(4-BROMOBUTYLIDENE)BIS(4-FLUOROBENZENE)
Systematic Name English
BENZENE, 1,1'-(4-BROMOBUTYLIDENE)BIS(4-FLUORO-
Preferred Name English
Code System Code Type Description
CAS
57668-61-8
Created by admin on Tue Apr 01 19:24:21 GMT 2025 , Edited by admin on Tue Apr 01 19:24:21 GMT 2025
PRIMARY
FDA UNII
Z7ZG44C3HP
Created by admin on Tue Apr 01 19:24:21 GMT 2025 , Edited by admin on Tue Apr 01 19:24:21 GMT 2025
PRIMARY
PUBCHEM
93763
Created by admin on Tue Apr 01 19:24:21 GMT 2025 , Edited by admin on Tue Apr 01 19:24:21 GMT 2025
PRIMARY
EPA CompTox
DTXSID30206371
Created by admin on Tue Apr 01 19:24:21 GMT 2025 , Edited by admin on Tue Apr 01 19:24:21 GMT 2025
PRIMARY
ECHA (EC/EINECS)
260-890-3
Created by admin on Tue Apr 01 19:24:21 GMT 2025 , Edited by admin on Tue Apr 01 19:24:21 GMT 2025
PRIMARY