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

Details

Stereochemistry RACEMIC
Molecular Formula C16H15F3O5
Molecular Weight 344.2825
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIFLUENFURONATE, CIS-

SMILES

COC1=C(C=CC=C1)[C@H]2OC(=O)C[C@H]2C(=O)OCCC(F)=C(F)F

InChI

InChIKey=VDQRIZJOECVEPJ-QMTHXVAHSA-N
InChI=1S/C16H15F3O5/c1-22-12-5-3-2-4-9(12)14-10(8-13(20)24-14)16(21)23-7-6-11(17)15(18)19/h2-5,10,14H,6-8H2,1H3/t10-,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H15F3O5
Molecular Weight 344.2825
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:06:23 GMT 2023
Edited
by admin
on Sat Dec 16 18:06:23 GMT 2023
Record UNII
3BR4D93X72
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIFLUENFURONATE, CIS-
Common Name English
RAC-3,4,4-TRIFLUOROBUT-3-EN-1-YL (2R,3S)-2-(2-METHOXYPHENYL)-5-OXOTETRAHYDROFURAN-3-CARBOXYLATE
Systematic Name English
Code System Code Type Description
PUBCHEM
162394547
Created by admin on Sat Dec 16 18:06:23 GMT 2023 , Edited by admin on Sat Dec 16 18:06:23 GMT 2023
PRIMARY
FDA UNII
3BR4D93X72
Created by admin on Sat Dec 16 18:06:23 GMT 2023 , Edited by admin on Sat Dec 16 18:06:23 GMT 2023
PRIMARY