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

C7H4Br2F3NO — CID 2736797

IUPAC2,6-dibromo-4-(trifluoromethoxy)aniline
SMILESNc1c(Br)cc(OC(F)(F)F)cc1Br
InChIInChI=1S/C7H4Br2F3NO/c8-4-1-3(14-7(10,11)12)2-5(9)6(4)13/h1-2H,13H2
InChIKeyJBSWOEGXMADXOU-UHFFFAOYSA-N
MW334.92 g/mol
LogP3.69
Rot. Bonds1

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

2,6-dibromo-4-(trifluoromethoxy)aniline (PubChem CID 2736797) has the molecular formula C7H4Br2F3NO and a molecular weight of 334.92 g/mol. Its IUPAC name is 2,6-dibromo-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name2,6-dibromo-4-(trifluoromethoxy)aniline
PubChem CID2736797
Molecular FormulaC7H4Br2F3NO
Molecular Weight334.92 g/mol
Exact Mass332.86
IUPAC Name2,6-dibromo-4-(trifluoromethoxy)aniline
SMILESNc1c(Br)cc(OC(F)(F)F)cc1Br
InChIInChI=1S/C7H4Br2F3NO/c8-4-1-3(14-7(10,11)12)2-5(9)6(4)13/h1-2H,13H2
InChIKeyJBSWOEGXMADXOU-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.92
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-(trifluoromethoxy)aniline?
The IUPAC name of 2,6-dibromo-4-(trifluoromethoxy)aniline (CID 2736797) is 2,6-dibromo-4-(trifluoromethoxy)aniline.
What is the SMILES notation for 2,6-dibromo-4-(trifluoromethoxy)aniline?
The canonical SMILES for 2,6-dibromo-4-(trifluoromethoxy)aniline is Nc1c(Br)cc(OC(F)(F)F)cc1Br.
What is the InChIKey of 2,6-dibromo-4-(trifluoromethoxy)aniline?
The InChIKey is JBSWOEGXMADXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2F3NO/c8-4-1-3(14-7(10,11)12)2-5(9)6(4)13/h1-2H,13H2.
What are the key properties of 2,6-dibromo-4-(trifluoromethoxy)aniline?
2,6-dibromo-4-(trifluoromethoxy)aniline has a molecular weight of 334.92 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 2736797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).