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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
Development of ST-246® for Treatment of Poxvirus Infections.
2010-11
Biodegradation of fluorinated alkyl substances.
2010
Physiological modes of action of fluoxetine and its human metabolites in algae.
2009-09-01
Bacillus anthracis o-succinylbenzoyl-CoA synthetase: reaction kinetics and a novel inhibitor mimicking its reaction intermediate.
2008-11-25
Mechanistic studies in biodegradation of the new synthesized fluorosurfactant 9-[4-(trifluoromethyl)phenoxy]nonane-1-sulfonate.
2008-04-11
Evaluation of the in vitro biotransformation of fluoxetine with HPLC, mass spectrometry and ecotoxicological tests.
2007-11
Kinetic study of the oxidation of phenolic derivatives of alpha,alpha,alpha-trifluorotoluene by singlet molecular oxygen [O2(1delta(g)) and hydrogen phosphate radicals.
2003-08
Total synthesis of the turrianes and evaluation of the DNA-cleaving properties.
2002-04-15
Simultaneous determination of fluoxetine and its metabolite p-trifluoromethylphenol in human liver microsomes using a gas chromatographic-electron-capture detection procedure.
2002-04-05
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:29:51 GMT 2025
Edited
by admin
on Mon Mar 31 19:29:51 GMT 2025
Record UNII
G8PMO13PO4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-88303
Preferred Name English
4-TRIFLUOROMETHYLPHENOL
Systematic Name 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 Mon Mar 31 19:29:51 GMT 2025 , Edited by admin on Mon Mar 31 19:29:51 GMT 2025
PRIMARY
CHEBI
42578
Created by admin on Mon Mar 31 19:29:51 GMT 2025 , Edited by admin on Mon Mar 31 19:29:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID2075392
Created by admin on Mon Mar 31 19:29:51 GMT 2025 , Edited by admin on Mon Mar 31 19:29:51 GMT 2025
PRIMARY
CAS
402-45-9
Created by admin on Mon Mar 31 19:29:51 GMT 2025 , Edited by admin on Mon Mar 31 19:29:51 GMT 2025
PRIMARY
DRUG BANK
DB03610
Created by admin on Mon Mar 31 19:29:51 GMT 2025 , Edited by admin on Mon Mar 31 19:29:51 GMT 2025
PRIMARY
FDA UNII
G8PMO13PO4
Created by admin on Mon Mar 31 19:29:51 GMT 2025 , Edited by admin on Mon Mar 31 19:29:51 GMT 2025
PRIMARY
ECHA (EC/EINECS)
206-945-7
Created by admin on Mon Mar 31 19:29:51 GMT 2025 , Edited by admin on Mon Mar 31 19:29:51 GMT 2025
PRIMARY
PUBCHEM
67874
Created by admin on Mon Mar 31 19:29:51 GMT 2025 , Edited by admin on Mon Mar 31 19:29:51 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
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PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP