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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H10F3NO2
Molecular Weight 257.2085
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2H-1-BENZOPYRAN-2-ONE, 7-(ETHYLAMINO)-4-(TRIFLUOROMETHYL)-

SMILES

CCNC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F

InChI

InChIKey=GZTMNDOZYLMFQE-UHFFFAOYSA-N
InChI=1S/C12H10F3NO2/c1-2-16-7-3-4-8-9(12(13,14)15)6-11(17)18-10(8)5-7/h3-6,16H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H10F3NO2
Molecular Weight 257.2085
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 17:44:51 GMT 2025
Edited
by admin
on Tue Apr 01 17:44:51 GMT 2025
Record UNII
AA4WB8B35M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2H-1-BENZOPYRAN-2-ONE, 7-(ETHYLAMINO)-4-(TRIFLUOROMETHYL)-
Systematic Name English
COUMARIN 500
Preferred Name English
7-(ETHYLAMINO)-4-(TRIFLUOROMETHYL)-2H-1-BENZOPYRAN-2-ONE
Systematic Name English
7-(ETHYLAMINO)-4-(TRIFLUOROMETHYL)COUMARIN
Systematic Name English
COUMARIN 500F
Common Name English
4-(TRIFLUOROMETHYL)-7-(ETHYLAMINO)COUMARIN
Systematic Name English
Code System Code Type Description
CHEBI
51776
Created by admin on Tue Apr 01 17:44:51 GMT 2025 , Edited by admin on Tue Apr 01 17:44:51 GMT 2025
PRIMARY
FDA UNII
AA4WB8B35M
Created by admin on Tue Apr 01 17:44:51 GMT 2025 , Edited by admin on Tue Apr 01 17:44:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID5068813
Created by admin on Tue Apr 01 17:44:51 GMT 2025 , Edited by admin on Tue Apr 01 17:44:51 GMT 2025
PRIMARY
PUBCHEM
104338
Created by admin on Tue Apr 01 17:44:51 GMT 2025 , Edited by admin on Tue Apr 01 17:44:51 GMT 2025
PRIMARY
ECHA (EC/EINECS)
258-216-8
Created by admin on Tue Apr 01 17:44:51 GMT 2025 , Edited by admin on Tue Apr 01 17:44:51 GMT 2025
PRIMARY
CAS
52840-38-7
Created by admin on Tue Apr 01 17:44:51 GMT 2025 , Edited by admin on Tue Apr 01 17:44:51 GMT 2025
PRIMARY