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Details

Stereochemistry ACHIRAL
Molecular Formula C7H5F3O
Molecular Weight 162.1092
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-TRIFLUOROMETHYLPHENOL

SMILES

OC1=CC=C(C=C1)C(F)(F)F

InChI

InChIKey=BAYGVMXZJBFEMB-UHFFFAOYSA-N
InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H

HIDE SMILES / InChI

Molecular Formula C7H5F3O
Molecular Weight 162.1092
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Total synthesis of the turrianes and evaluation of the DNA-cleaving properties.
2002 Apr 15
Simultaneous determination of fluoxetine and its metabolite p-trifluoromethylphenol in human liver microsomes using a gas chromatographic-electron-capture detection procedure.
2002 Apr 5
Kinetic study of the oxidation of phenolic derivatives of alpha,alpha,alpha-trifluorotoluene by singlet molecular oxygen [O2(1delta(g)) and hydrogen phosphate radicals.
2003 Aug
Evaluation of the in vitro biotransformation of fluoxetine with HPLC, mass spectrometry and ecotoxicological tests.
2007 Nov
Mechanistic studies in biodegradation of the new synthesized fluorosurfactant 9-[4-(trifluoromethyl)phenoxy]nonane-1-sulfonate.
2008 Apr 11
Bacillus anthracis o-succinylbenzoyl-CoA synthetase: reaction kinetics and a novel inhibitor mimicking its reaction intermediate.
2008 Nov 25
Physiological modes of action of fluoxetine and its human metabolites in algae.
2009 Sep 1
Biodegradation of fluorinated alkyl substances.
2010
Development of ST-246® for Treatment of Poxvirus Infections.
2010 Nov
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:00:21 GMT 2023
Edited
by admin
on Fri Dec 15 19:00:21 GMT 2023
Record UNII
G8PMO13PO4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-TRIFLUOROMETHYLPHENOL
Systematic Name English
NSC-88303
Code English
TRIFLUOROMETHYLPHENOL, P-
Common Name English
PHENOL, 4-(TRIFLUOROMETHYL)-
Systematic Name English
4-HYDROXYBENZOTRIFLUORIDE
Common Name English
P-HYDROXYBENZOTRIFLUORIDE
Common Name English
.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-P-CRESOL
Common Name English
4-(TRIFLUOROMETHYL)PHENOL
Systematic Name English
P-TRIFLUOROMETHYLPHENOL
Common Name English
.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-4-CRESOL
Systematic Name English
P-CRESOL, .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-
Systematic Name English
Code System Code Type Description
NSC
88303
Created by admin on Fri Dec 15 19:00:21 GMT 2023 , Edited by admin on Fri Dec 15 19:00:21 GMT 2023
PRIMARY
CHEBI
42578
Created by admin on Fri Dec 15 19:00:21 GMT 2023 , Edited by admin on Fri Dec 15 19:00:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID2075392
Created by admin on Fri Dec 15 19:00:21 GMT 2023 , Edited by admin on Fri Dec 15 19:00:21 GMT 2023
PRIMARY
CAS
402-45-9
Created by admin on Fri Dec 15 19:00:21 GMT 2023 , Edited by admin on Fri Dec 15 19:00:21 GMT 2023
PRIMARY
DRUG BANK
DB03610
Created by admin on Fri Dec 15 19:00:21 GMT 2023 , Edited by admin on Fri Dec 15 19:00:21 GMT 2023
PRIMARY
FDA UNII
G8PMO13PO4
Created by admin on Fri Dec 15 19:00:21 GMT 2023 , Edited by admin on Fri Dec 15 19:00:21 GMT 2023
PRIMARY
ECHA (EC/EINECS)
206-945-7
Created by admin on Fri Dec 15 19:00:21 GMT 2023 , Edited by admin on Fri Dec 15 19:00:21 GMT 2023
PRIMARY
PUBCHEM
67874
Created by admin on Fri Dec 15 19:00:21 GMT 2023 , Edited by admin on Fri Dec 15 19:00:21 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP