3-(Trifluoromethyl)aniline hydrochloride

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H6F3N.ClH
Molecular Weight	197.585
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(Trifluoromethyl)aniline hydrochloride

Structure Search

SMILES

Cl.NC1=CC=CC(=C1)C(F)(F)F

InChI

InChIKey=RGHFRKJSEQEKCV-UHFFFAOYSA-N

InChI=1S/C7H6F3N.ClH/c8-7(9,10)5-2-1-3-6(11)4-5;/h1-4H,11H2;1H

HIDE SMILES / InChI

Molecular Formula	C7H6F3N
Molecular Weight	161.1244
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
New designer drug 1-(3-trifluoromethylphenyl) piperazine (TFMPP): gas chromatography/mass spectrometry and liquid chromatography/mass spectrometry studies on its phase I and II metabolism and on its toxicological detection in rat urine.	2003 Sep	14505325

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:49:50 GMT 2023` Edited by `admin` on `Sat Dec 16 19:49:50 GMT 2023`
Record UNII	D8M2XGK72F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(Trifluoromethyl)aniline hydrochloride

Systematic Name

English

NSC-221148

Code

English

3-Aminobenzotrifluoride hydrochloride

Systematic Name

English

BENZENAMINE, 3-(TRIFLUOROMETHYL)-, HYDROCHLORIDE

Systematic Name

English

m-Toluidine, α,α,α-trifluoro-, hydrochloride

Common Name

English

Benzenamine, 3-(trifluoromethyl)-, hydrochloride (1:1)

Systematic Name

English

m-(Trifluoromethyl)aniline hydrochloride

Systematic Name

English

3-Trifluoromethylaniline hydrochloride

Systematic Name

English

Code System Code Type Description

PUBCHEM

200755