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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H9Cl2F3O
Molecular Weight 321.122
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Bis(p-chlorophenyl)(trifluoromethyl)carbinol

SMILES

OC(C1=CC=C(Cl)C=C1)(C2=CC=C(Cl)C=C2)C(F)(F)F

InChI

InChIKey=LARLSBWABHVOTC-UHFFFAOYSA-N
InChI=1S/C14H9Cl2F3O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H

HIDE SMILES / InChI

Molecular Formula C14H9Cl2F3O
Molecular Weight 321.122
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 19:49:12 GMT 2025
Edited
by admin
on Tue Apr 01 19:49:12 GMT 2025
Record UNII
CK5J5EH29V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-91547
Preferred Name English
Bis(p-chlorophenyl)(trifluoromethyl)carbinol
Common Name English
Benzhydrol, 4,4'-dichloro-?-(trifluoromethyl)-
Systematic Name English
4-Chloro-?-(4-chlorophenyl)-?-(trifluoromethyl)benzenemethanol
Systematic Name English
Benzenemethanol, 4-chloro-?-(4-chlorophenyl)-?-(trifluoromethyl)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10212213
Created by admin on Tue Apr 01 19:49:12 GMT 2025 , Edited by admin on Tue Apr 01 19:49:12 GMT 2025
PRIMARY
NSC
91547
Created by admin on Tue Apr 01 19:49:12 GMT 2025 , Edited by admin on Tue Apr 01 19:49:12 GMT 2025
PRIMARY
CAS
630-71-7
Created by admin on Tue Apr 01 19:49:12 GMT 2025 , Edited by admin on Tue Apr 01 19:49:12 GMT 2025
PRIMARY
FDA UNII
CK5J5EH29V
Created by admin on Tue Apr 01 19:49:12 GMT 2025 , Edited by admin on Tue Apr 01 19:49:12 GMT 2025
PRIMARY
PUBCHEM
96881
Created by admin on Tue Apr 01 19:49:12 GMT 2025 , Edited by admin on Tue Apr 01 19:49:12 GMT 2025
PRIMARY