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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H18O.BF3
Molecular Weight 198.034
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (T-4)-Trifluoro[1,1?-oxybis[butane]]boron

SMILES

FB(F)F.CCCCOCCCC

InChI

InChIKey=PVKVBDZRILNPJY-UHFFFAOYSA-N
InChI=1S/C8H18O.BF3/c1-3-5-7-9-8-6-4-2;2-1(3)4/h3-8H2,1-2H3;

HIDE SMILES / InChI

Molecular Formula BF3
Molecular Weight 67.806
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C8H18O
Molecular Weight 130.2279
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 19:07:28 GMT 2025
Edited
by admin
on Tue Apr 01 19:07:28 GMT 2025
Record UNII
Z5G85THN5Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Boron, trifluoro[1,1?-oxybis[butane]]-, (T-4)-
Preferred Name English
(T-4)-Trifluoro[1,1?-oxybis[butane]]boron
Systematic Name English
Code System Code Type Description
FDA UNII
Z5G85THN5Z
Created by admin on Tue Apr 01 19:07:28 GMT 2025 , Edited by admin on Tue Apr 01 19:07:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID1060473
Created by admin on Tue Apr 01 19:07:28 GMT 2025 , Edited by admin on Tue Apr 01 19:07:28 GMT 2025
PRIMARY
PUBCHEM
68970
Created by admin on Tue Apr 01 19:07:28 GMT 2025 , Edited by admin on Tue Apr 01 19:07:28 GMT 2025
PRIMARY
ECHA (EC/EINECS)
209-783-5
Created by admin on Tue Apr 01 19:07:28 GMT 2025 , Edited by admin on Tue Apr 01 19:07:28 GMT 2025
PRIMARY
CAS
593-04-4
Created by admin on Tue Apr 01 19:07:28 GMT 2025 , Edited by admin on Tue Apr 01 19:07:28 GMT 2025
PRIMARY