Molecular Identity
4-Chloro-3-(trifluoromethyl)aniline
4-chloro-3-(trifluoromethyl)aniline
PubChem CID: 67574
5-amino-2-chlorobenzotrifluoride is a monochlorobenzene that is the 3-trifluoromethyl derivative of 4-chloroaniline. It has a role as an epitope. It is a chloroaniline, a member of monochlorobenzenes and a member of (trifluoromethyl)benzenes.
2D Structure
Properties
C7H5ClF3N
Molecular Formula
195.57
Molecular Weight
g/mol
195.0063
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
26
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
159
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
4-Chloro-3-(trifluoromethyl)aniline5-Amino-2-chlorobenzotrifluoride2-Chloro-5-aminobenzotrifluorideBenzenamine, 4-chloro-3-(trifluoromethyl)-4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidineCCRIS 28156-Chloro-3-aminobenzotrifluorideEINECS 206-277-6NSC 61405UNII-000N5814MRCHEBI:59245NSC-61405000N5814MRDTXSID7059804ASPDJZINBYYZRU-UHFFFAOYSA-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 4-Chloro-3-(trifluoromethyl)aniline
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