2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylaniline

C14H11F4N — CID 107289642

IUPAC2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylaniline
SMILESCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)c(N)c1
InChIInChI=1S/C14H11F4N/c1-8-2-4-10(13(19)6-8)9-3-5-12(15)11(7-9)14(16,17)18/h2-7H,19H2,1H3
InChIKeyZPWAVTUPYZHYKY-UHFFFAOYSA-N
MW269.24 g/mol
LogP4.40
Rot. Bonds1

About 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylaniline

2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylaniline (PubChem CID 107289642) has the molecular formula C14H11F4N and a molecular weight of 269.24 g/mol. Its IUPAC name is 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylaniline.

Molecular Properties

Compound Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylaniline
PubChem CID107289642
Molecular FormulaC14H11F4N
Molecular Weight269.24 g/mol
Exact Mass269.08
IUPAC Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylaniline
SMILESCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)c(N)c1
InChIInChI=1S/C14H11F4N/c1-8-2-4-10(13(19)6-8)9-3-5-12(15)11(7-9)14(16,17)18/h2-7H,19H2,1H3
InChIKeyZPWAVTUPYZHYKY-UHFFFAOYSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylaniline 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

2-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
CID 107289630
ethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline
CID 144852270
2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
CID 107289637
5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]phenol
CID 107290811
4-methyl-2-(trifluoromethyl)aniline
CID 2737710
4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117367114
5-methyl-2-(2,4,5-trifluorophenyl)aniline
CID 82766150
1-(2-fluoro-4-methylphenyl)-4-methyl-2-(trifluoromethyl)benzene
CID 20744040
1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene
CID 59545613
2,4-dimethyl-1-[3-methyl-4-(trifluoromethyl)phenyl]benzene
CID 155129747
4-(2-fluoro-5-methylphenyl)-2-methylaniline
CID 61026096
5-(3,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)aniline
CID 165458251

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylaniline?
The IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylaniline (CID 107289642) is 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylaniline.
What is the SMILES notation for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylaniline?
The canonical SMILES for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylaniline is Cc1ccc(-c2ccc(F)c(C(F)(F)F)c2)c(N)c1.
What is the InChIKey of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylaniline?
The InChIKey is ZPWAVTUPYZHYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N/c1-8-2-4-10(13(19)6-8)9-3-5-12(15)11(7-9)14(16,17)18/h2-7H,19H2,1H3.
What are the key properties of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylaniline?
2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylaniline has a molecular weight of 269.24 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylaniline is sourced from PubChem (CID 107289642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).