4-bromo-N-ethyl-2-(trifluoromethyl)aniline

C9H9BrF3N — CID 60792863

IUPAC4-bromo-N-ethyl-2-(trifluoromethyl)aniline
SMILESCCNc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C9H9BrF3N/c1-2-14-8-4-3-6(10)5-7(8)9(11,12)13/h3-5,14H,2H2,1H3
InChIKeyIFTKJLCVLFKKJR-UHFFFAOYSA-N
MW268.08 g/mol
LogP3.90
Rot. Bonds2

About 4-bromo-N-ethyl-2-(trifluoromethyl)aniline

4-bromo-N-ethyl-2-(trifluoromethyl)aniline (PubChem CID 60792863) has the molecular formula C9H9BrF3N and a molecular weight of 268.08 g/mol. Its IUPAC name is 4-bromo-N-ethyl-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-ethyl-2-(trifluoromethyl)aniline
PubChem CID60792863
Molecular FormulaC9H9BrF3N
Molecular Weight268.08 g/mol
Exact Mass266.99
IUPAC Name4-bromo-N-ethyl-2-(trifluoromethyl)aniline
SMILESCCNc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C9H9BrF3N/c1-2-14-8-4-3-6(10)5-7(8)9(11,12)13/h3-5,14H,2H2,1H3
InChIKeyIFTKJLCVLFKKJR-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.08
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-N-ethyl-2-(trifluoromethyl)aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-2-(trifluoromethyl)aniline?
The IUPAC name of 4-bromo-N-ethyl-2-(trifluoromethyl)aniline (CID 60792863) is 4-bromo-N-ethyl-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-bromo-N-ethyl-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-bromo-N-ethyl-2-(trifluoromethyl)aniline is CCNc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-N-ethyl-2-(trifluoromethyl)aniline?
The InChIKey is IFTKJLCVLFKKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3N/c1-2-14-8-4-3-6(10)5-7(8)9(11,12)13/h3-5,14H,2H2,1H3.
What are the key properties of 4-bromo-N-ethyl-2-(trifluoromethyl)aniline?
4-bromo-N-ethyl-2-(trifluoromethyl)aniline has a molecular weight of 268.08 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-2-(trifluoromethyl)aniline is sourced from PubChem (CID 60792863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).