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

Details

Stereochemistry ACHIRAL
Molecular Formula C4HBrF6
Molecular Weight 242.945
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (E)-2-BROMO-1,1,1,4,4,4-HEXAFLUORO-2-BUTENE

SMILES

FC(F)(F)\C=C(\Br)C(F)(F)F

InChI

InChIKey=KSWYRKGFPCBMHX-OWOJBTEDSA-N
InChI=1S/C4HBrF6/c5-2(4(9,10)11)1-3(6,7)8/h1H/b2-1+

HIDE SMILES / InChI

Molecular Formula C4HBrF6
Molecular Weight 242.945
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:19:54 UTC 2023
Edited
by admin
on Sat Dec 16 14:19:54 UTC 2023
Record UNII
XV4E8F5NUJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(E)-2-BROMO-1,1,1,4,4,4-HEXAFLUORO-2-BUTENE
Common Name English
HALOTHANE IMPURITY E [EP IMPURITY]
Common Name English
(E)-2-BROMO-1,1,1,4,4,4-HEXAFLUOROBUT-2-ENE
Common Name English
2-BUTENE, 2-BROMO-1,1,1,4,4,4-HEXAFLUORO-, (E)-
Common Name English
2-BUTENE, 2-BROMO-1,1,1,4,4,4-HEXAFLUORO-, (2E)-
Common Name English
Code System Code Type Description
CAS
20591-32-6
Created by admin on Sat Dec 16 14:19:54 UTC 2023 , Edited by admin on Sat Dec 16 14:19:54 UTC 2023
PRIMARY
FDA UNII
XV4E8F5NUJ
Created by admin on Sat Dec 16 14:19:54 UTC 2023 , Edited by admin on Sat Dec 16 14:19:54 UTC 2023
PRIMARY
PUBCHEM
14151138
Created by admin on Sat Dec 16 14:19:54 UTC 2023 , Edited by admin on Sat Dec 16 14:19:54 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP