2-bromo-4-chloro-N-(2,2,2-trifluoro-1-phenylethyl)aniline

C14H10BrClF3N — CID 81270264

IUPAC2-bromo-4-chloro-N-(2,2,2-trifluoro-1-phenylethyl)aniline
SMILESFC(F)(F)C(Nc1ccc(Cl)cc1Br)c1ccccc1
InChIInChI=1S/C14H10BrClF3N/c15-11-8-10(16)6-7-12(11)20-13(14(17,18)19)9-4-2-1-3-5-9/h1-8,13,20H
InChIKeyDHGSUZUVWCDEGL-UHFFFAOYSA-N
MW364.59 g/mol
LogP5.82
Rot. Bonds3

About 2-bromo-4-chloro-N-(2,2,2-trifluoro-1-phenylethyl)aniline

2-bromo-4-chloro-N-(2,2,2-trifluoro-1-phenylethyl)aniline (PubChem CID 81270264) has the molecular formula C14H10BrClF3N and a molecular weight of 364.59 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(2,2,2-trifluoro-1-phenylethyl)aniline.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(2,2,2-trifluoro-1-phenylethyl)aniline
PubChem CID81270264
Molecular FormulaC14H10BrClF3N
Molecular Weight364.59 g/mol
Exact Mass362.96
IUPAC Name2-bromo-4-chloro-N-(2,2,2-trifluoro-1-phenylethyl)aniline
SMILESFC(F)(F)C(Nc1ccc(Cl)cc1Br)c1ccccc1
InChIInChI=1S/C14H10BrClF3N/c15-11-8-10(16)6-7-12(11)20-13(14(17,18)19)9-4-2-1-3-5-9/h1-8,13,20H
InChIKeyDHGSUZUVWCDEGL-UHFFFAOYSA-N
XLogP5.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.59
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-4-chloro-N-(2,2,2-trifluoro-1-phenylethyl)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 2-bromo-4-chloro-N-(2,2,2-trifluoro-1-phenylethyl)aniline?
The IUPAC name of 2-bromo-4-chloro-N-(2,2,2-trifluoro-1-phenylethyl)aniline (CID 81270264) is 2-bromo-4-chloro-N-(2,2,2-trifluoro-1-phenylethyl)aniline.
What is the SMILES notation for 2-bromo-4-chloro-N-(2,2,2-trifluoro-1-phenylethyl)aniline?
The canonical SMILES for 2-bromo-4-chloro-N-(2,2,2-trifluoro-1-phenylethyl)aniline is FC(F)(F)C(Nc1ccc(Cl)cc1Br)c1ccccc1.
What is the InChIKey of 2-bromo-4-chloro-N-(2,2,2-trifluoro-1-phenylethyl)aniline?
The InChIKey is DHGSUZUVWCDEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF3N/c15-11-8-10(16)6-7-12(11)20-13(14(17,18)19)9-4-2-1-3-5-9/h1-8,13,20H.
What are the key properties of 2-bromo-4-chloro-N-(2,2,2-trifluoro-1-phenylethyl)aniline?
2-bromo-4-chloro-N-(2,2,2-trifluoro-1-phenylethyl)aniline has a molecular weight of 364.59 g/mol, XLogP of 5.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(2,2,2-trifluoro-1-phenylethyl)aniline is sourced from PubChem (CID 81270264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).