4-[3-(trifluoromethyl)phenyl]aniline

C13H10F3N — CID 2760739

IUPAC4-[3-(trifluoromethyl)phenyl]aniline
SMILESNc1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C13H10F3N/c14-13(15,16)11-3-1-2-10(8-11)9-4-6-12(17)7-5-9/h1-8H,17H2
InChIKeyXREKLJQACWAWSV-UHFFFAOYSA-N
MW237.22 g/mol
LogP3.95
Rot. Bonds1

About 4-[3-(trifluoromethyl)phenyl]aniline

4-[3-(trifluoromethyl)phenyl]aniline (PubChem CID 2760739) has the molecular formula C13H10F3N and a molecular weight of 237.22 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenyl]aniline
PubChem CID2760739
Molecular FormulaC13H10F3N
Molecular Weight237.22 g/mol
Exact Mass237.08
IUPAC Name4-[3-(trifluoromethyl)phenyl]aniline
SMILESNc1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C13H10F3N/c14-13(15,16)11-3-1-2-10(8-11)9-4-6-12(17)7-5-9/h1-8H,17H2
InChIKeyXREKLJQACWAWSV-UHFFFAOYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[3-(trifluoromethyl)phenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
2-chloro-5-[3-(trifluoromethyl)phenyl]aniline
CID 62909928
trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90174149
aniline;3-(trifluoromethyl)aniline
CID 160634583
4-[3-[3-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 10496132
4-[3-(trifluoromethyl)phenyl]furan-2-amine
CID 90487673
[3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol
CID 146020152
sodium 4-[3-(trifluoromethyl)phenyl]benzenesulfonate
CID 46741398
CID 131866586
CID 131866586
2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol
CID 10683160
dihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90171711
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 4-[3-(trifluoromethyl)phenyl]aniline (CID 2760739) is 4-[3-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 4-[3-(trifluoromethyl)phenyl]aniline is Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-[3-(trifluoromethyl)phenyl]aniline?
The InChIKey is XREKLJQACWAWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N/c14-13(15,16)11-3-1-2-10(8-11)9-4-6-12(17)7-5-9/h1-8H,17H2.
What are the key properties of 4-[3-(trifluoromethyl)phenyl]aniline?
4-[3-(trifluoromethyl)phenyl]aniline has a molecular weight of 237.22 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 2760739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).