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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H19F2IO3
Molecular Weight 424.2215
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of [5-(2,4-Difluorophenyl)tetrahydro-5-(iodomethyl)-3-furanyl]methyl 2-methylpropanoate, (3S,5R)-

SMILES

CC(C)C(=O)OC[C@@H]1CO[C@](CI)(C1)C2=C(F)C=C(F)C=C2

InChI

InChIKey=UAPWKMHARJRASG-BZNIZROVSA-N
InChI=1S/C16H19F2IO3/c1-10(2)15(20)21-7-11-6-16(9-19,22-8-11)13-4-3-12(17)5-14(13)18/h3-5,10-11H,6-9H2,1-2H3/t11-,16+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
[5-(2,4-Difluorophenyl)tetrahydro-5-(iodomethyl)-3-furanyl]methyl 2-methylpropanoate, (3S,5R)-
Systematic Name English
Propanoic acid, 2-methyl-, [(3S,5R)-5-(2,4-difluorophenyl)tetrahydro-5-(iodomethyl)-3-furanyl]methyl ester
Systematic Name English
[(3S,5R)-5-(2,4-Difluorophenyl)tetrahydro-5-(iodomethyl)-3-furanyl]methyl 2-methylpropanoate
Systematic Name English
Code System Code Type Description
FDA UNII
PM7W9Q3Z5K
Created by admin on Sat Dec 16 19:46:26 GMT 2023 , Edited by admin on Sat Dec 16 19:46:26 GMT 2023
PRIMARY
CAS
1042398-26-4
Created by admin on Sat Dec 16 19:46:26 GMT 2023 , Edited by admin on Sat Dec 16 19:46:26 GMT 2023
PRIMARY
PUBCHEM
89732201
Created by admin on Sat Dec 16 19:46:26 GMT 2023 , Edited by admin on Sat Dec 16 19:46:26 GMT 2023
PRIMARY