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

Details

Stereochemistry ABSOLUTE
Molecular Formula C7H6F3NO2
Molecular Weight 193.1232
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FLUCRILATE, (R)-

SMILES

C[C@@H](OC(=O)C(=C)C#N)C(F)(F)F

InChI

InChIKey=MEKBIVQWPIRQNE-RXMQYKEDSA-N
InChI=1S/C7H6F3NO2/c1-4(3-11)6(12)13-5(2)7(8,9)10/h5H,1H2,2H3/t5-/m1/s1

HIDE SMILES / InChI

Molecular Formula C7H6F3NO2
Molecular Weight 193.1232
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:27:02 UTC 2023
Edited
by admin
on Sat Dec 16 11:27:02 UTC 2023
Record UNII
NF24P7MHDK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FLUCRILATE, (R)-
Common Name English
2-PROPENOIC ACID, 2-CYANO-, 2,2,2-TRIFLUORO-1-METHYLETHYL ESTER, (R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
76963863
Created by admin on Sat Dec 16 11:27:03 UTC 2023 , Edited by admin on Sat Dec 16 11:27:03 UTC 2023
PRIMARY
FDA UNII
NF24P7MHDK
Created by admin on Sat Dec 16 11:27:03 UTC 2023 , Edited by admin on Sat Dec 16 11:27:03 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER