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

Details

Stereochemistry RACEMIC
Molecular Formula C11H11FO2
Molecular Weight 194.2022
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of rel-(2R)-6-Fluoro-3,4-dihydro-2-[(2S)-2-oxiranyl]-2H-1-benzopyran

SMILES

FC1=CC2=C(O[C@@H](CC2)[C@H]3CO3)C=C1

InChI

InChIKey=GVZDIJGBXSDSEP-WDEREUQCSA-N
InChI=1S/C11H11FO2/c12-8-2-4-9-7(5-8)1-3-10(14-9)11-6-13-11/h2,4-5,10-11H,1,3,6H2/t10-,11+/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H11FO2
Molecular Weight 194.2022
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 Wed Apr 02 10:57:52 GMT 2025
Edited
by admin
on Wed Apr 02 10:57:52 GMT 2025
Record UNII
QLP5ANX2VW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(RS)-6-FLUORO-2-((SR)-OXIRAN-2-YL)CHROMANE
Preferred Name English
rel-(2R)-6-Fluoro-3,4-dihydro-2-[(2S)-2-oxiranyl]-2H-1-benzopyran
Systematic Name English
2H-1-Benzopyran, 6-fluoro-3,4-dihydro-2-[(2S)-2-oxiranyl]-, (2R)-rel-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID201335177
Created by admin on Wed Apr 02 10:57:52 GMT 2025 , Edited by admin on Wed Apr 02 10:57:52 GMT 2025
PRIMARY
FDA UNII
QLP5ANX2VW
Created by admin on Wed Apr 02 10:57:52 GMT 2025 , Edited by admin on Wed Apr 02 10:57:52 GMT 2025
PRIMARY
PUBCHEM
51698391
Created by admin on Wed Apr 02 10:57:52 GMT 2025 , Edited by admin on Wed Apr 02 10:57:52 GMT 2025
PRIMARY
CAS
793669-26-8
Created by admin on Wed Apr 02 10:57:52 GMT 2025 , Edited by admin on Wed Apr 02 10:57:52 GMT 2025
PRIMARY