2-bromo-5-chloro-4-(trifluoromethyl)aniline

C7H4BrClF3N — CID 23149832

IUPAC2-bromo-5-chloro-4-(trifluoromethyl)aniline
SMILESNc1cc(Cl)c(C(F)(F)F)cc1Br
InChIInChI=1S/C7H4BrClF3N/c8-4-1-3(7(10,11)12)5(9)2-6(4)13/h1-2H,13H2
InChIKeyNUSMLYKXERNHEB-UHFFFAOYSA-N
MW274.47 g/mol
LogP3.70
Rot. Bonds

About 2-bromo-5-chloro-4-(trifluoromethyl)aniline

2-bromo-5-chloro-4-(trifluoromethyl)aniline (PubChem CID 23149832) has the molecular formula C7H4BrClF3N and a molecular weight of 274.47 g/mol. Its IUPAC name is 2-bromo-5-chloro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-bromo-5-chloro-4-(trifluoromethyl)aniline
PubChem CID23149832
Molecular FormulaC7H4BrClF3N
Molecular Weight274.47 g/mol
Exact Mass272.92
IUPAC Name2-bromo-5-chloro-4-(trifluoromethyl)aniline
SMILESNc1cc(Cl)c(C(F)(F)F)cc1Br
InChIInChI=1S/C7H4BrClF3N/c8-4-1-3(7(10,11)12)5(9)2-6(4)13/h1-2H,13H2
InChIKeyNUSMLYKXERNHEB-UHFFFAOYSA-N
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-4-(trifluoromethyl)aniline?
The IUPAC name of 2-bromo-5-chloro-4-(trifluoromethyl)aniline (CID 23149832) is 2-bromo-5-chloro-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-bromo-5-chloro-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-bromo-5-chloro-4-(trifluoromethyl)aniline is Nc1cc(Cl)c(C(F)(F)F)cc1Br.
What is the InChIKey of 2-bromo-5-chloro-4-(trifluoromethyl)aniline?
The InChIKey is NUSMLYKXERNHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF3N/c8-4-1-3(7(10,11)12)5(9)2-6(4)13/h1-2H,13H2.
What are the key properties of 2-bromo-5-chloro-4-(trifluoromethyl)aniline?
2-bromo-5-chloro-4-(trifluoromethyl)aniline has a molecular weight of 274.47 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 23149832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).