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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H15ClF2
Molecular Weight 280.74
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=UXXLTPGCINZEFM-UHFFFAOYSA-N
InChI=1S/C16H15ClF2/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 C16H15ClF2
Molecular Weight 280.74
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 Mon Mar 31 18:12:07 GMT 2025
Edited
by admin
on Mon Mar 31 18:12:07 GMT 2025
Record UNII
TMIFRY8XAG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZENE, 1,1'-(4-CHLOROBUTYLIDENE)BIS(4-FLUORO-
Preferred Name English
1,1'-(4-CHLOROBUTYLIDENE)BIS(4-FLUOROBENZENE)
Systematic Name English
Code System Code Type Description
PUBCHEM
76820
Created by admin on Mon Mar 31 18:12:07 GMT 2025 , Edited by admin on Mon Mar 31 18:12:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID90186781
Created by admin on Mon Mar 31 18:12:07 GMT 2025 , Edited by admin on Mon Mar 31 18:12:07 GMT 2025
PRIMARY
ECHA (EC/EINECS)
221-998-6
Created by admin on Mon Mar 31 18:12:07 GMT 2025 , Edited by admin on Mon Mar 31 18:12:07 GMT 2025
PRIMARY
FDA UNII
TMIFRY8XAG
Created by admin on Mon Mar 31 18:12:07 GMT 2025 , Edited by admin on Mon Mar 31 18:12:07 GMT 2025
PRIMARY
CAS
3312-04-7
Created by admin on Mon Mar 31 18:12:07 GMT 2025 , Edited by admin on Mon Mar 31 18:12:07 GMT 2025
PRIMARY