2,4-dibromo-6-(trifluoromethyl)aniline

C7H4Br2F3N — CID 737213

IUPAC2,4-dibromo-6-(trifluoromethyl)aniline
SMILESNc1c(Br)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C7H4Br2F3N/c8-3-1-4(7(10,11)12)6(13)5(9)2-3/h1-2H,13H2
InChIKeyZYBKXMTWWFTYKN-UHFFFAOYSA-N
MW318.92 g/mol
LogP3.81
Rot. Bonds

About 2,4-dibromo-6-(trifluoromethyl)aniline

2,4-dibromo-6-(trifluoromethyl)aniline (PubChem CID 737213) has the molecular formula C7H4Br2F3N and a molecular weight of 318.92 g/mol. Its IUPAC name is 2,4-dibromo-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2,4-dibromo-6-(trifluoromethyl)aniline
PubChem CID737213
Molecular FormulaC7H4Br2F3N
Molecular Weight318.92 g/mol
Exact Mass316.87
IUPAC Name2,4-dibromo-6-(trifluoromethyl)aniline
SMILESNc1c(Br)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C7H4Br2F3N/c8-3-1-4(7(10,11)12)6(13)5(9)2-3/h1-2H,13H2
InChIKeyZYBKXMTWWFTYKN-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.92
LogP ≤ 53.81
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 2,4-dibromo-6-(trifluoromethyl)aniline?
The IUPAC name of 2,4-dibromo-6-(trifluoromethyl)aniline (CID 737213) is 2,4-dibromo-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2,4-dibromo-6-(trifluoromethyl)aniline?
The canonical SMILES for 2,4-dibromo-6-(trifluoromethyl)aniline is Nc1c(Br)cc(Br)cc1C(F)(F)F.
What is the InChIKey of 2,4-dibromo-6-(trifluoromethyl)aniline?
The InChIKey is ZYBKXMTWWFTYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2F3N/c8-3-1-4(7(10,11)12)6(13)5(9)2-3/h1-2H,13H2.
What are the key properties of 2,4-dibromo-6-(trifluoromethyl)aniline?
2,4-dibromo-6-(trifluoromethyl)aniline has a molecular weight of 318.92 g/mol, XLogP of 3.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(trifluoromethyl)aniline is sourced from PubChem (CID 737213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).