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Details

Stereochemistry ACHIRAL
Molecular Formula C9H4F6O2
Molecular Weight 258.1173
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,5-BIS(TRIFLUOROMETHYL)BENZOIC ACID

SMILES

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

InChI

InChIKey=HVFQJWGYVXKLTE-UHFFFAOYSA-N
InChI=1S/C9H4F6O2/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H,16,17)

HIDE SMILES / InChI

Molecular Formula C9H4F6O2
Molecular Weight 258.1173
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 Sat Dec 16 12:24:39 GMT 2023
Edited
by admin
on Sat Dec 16 12:24:39 GMT 2023
Record UNII
NN52L84T3A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,5-BIS(TRIFLUOROMETHYL)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 3,5-BIS(TRIFLUOROMETHYL)-
Common Name English
NSC-88282
Code English
TORCETRAPIB METABOLITE M1
Common Name English
3,5-DI(TRIFLUOROMETHYL)BENZOIC ACID
Systematic Name English
Code System Code Type Description
CAS
725-89-3
Created by admin on Sat Dec 16 12:24:39 GMT 2023 , Edited by admin on Sat Dec 16 12:24:39 GMT 2023
PRIMARY
PUBCHEM
12889
Created by admin on Sat Dec 16 12:24:39 GMT 2023 , Edited by admin on Sat Dec 16 12:24:39 GMT 2023
PRIMARY
ECHA (EC/EINECS)
211-970-1
Created by admin on Sat Dec 16 12:24:39 GMT 2023 , Edited by admin on Sat Dec 16 12:24:39 GMT 2023
PRIMARY
FDA UNII
NN52L84T3A
Created by admin on Sat Dec 16 12:24:39 GMT 2023 , Edited by admin on Sat Dec 16 12:24:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID20222808
Created by admin on Sat Dec 16 12:24:39 GMT 2023 , Edited by admin on Sat Dec 16 12:24:39 GMT 2023
PRIMARY
NSC
88282
Created by admin on Sat Dec 16 12:24:39 GMT 2023 , Edited by admin on Sat Dec 16 12:24:39 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE