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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H12F2O4
Molecular Weight 258.2181
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid

SMILES

OC(=O)C1=CC(OCC2CC2)=C(OC(F)F)C=C1

InChI

InChIKey=IGFDIFLMMLWKKY-UHFFFAOYSA-N
InChI=1S/C12H12F2O4/c13-12(14)18-9-4-3-8(11(15)16)5-10(9)17-6-7-1-2-7/h3-5,7,12H,1-2,6H2,(H,15,16)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3-Cyclopropylmethoxy-4-difluoromethoxybenzoic acid
Preferred Name English
3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid
Systematic Name English
Benzoic acid, 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-
Systematic Name English
Code System Code Type Description
PUBCHEM
2394006
Created by admin on Wed Apr 02 20:52:51 GMT 2025 , Edited by admin on Wed Apr 02 20:52:51 GMT 2025
PRIMARY
FDA UNII
V6P7ZR83TR
Created by admin on Wed Apr 02 20:52:51 GMT 2025 , Edited by admin on Wed Apr 02 20:52:51 GMT 2025
PRIMARY
CAS
162401-62-9
Created by admin on Wed Apr 02 20:52:51 GMT 2025 , Edited by admin on Wed Apr 02 20:52:51 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966