4-bromo-2-methyl-6-(trifluoromethoxy)aniline

C8H7BrF3NO — CID 118834612

IUPAC4-bromo-2-methyl-6-(trifluoromethoxy)aniline
SMILESCc1cc(Br)cc(OC(F)(F)F)c1N
InChIInChI=1S/C8H7BrF3NO/c1-4-2-5(9)3-6(7(4)13)14-8(10,11)12/h2-3H,13H2,1H3
InChIKeyITDRIHCUTUCZDF-UHFFFAOYSA-N
MW270.05 g/mol
LogP3.24
Rot. Bonds1

About 4-bromo-2-methyl-6-(trifluoromethoxy)aniline

4-bromo-2-methyl-6-(trifluoromethoxy)aniline (PubChem CID 118834612) has the molecular formula C8H7BrF3NO and a molecular weight of 270.05 g/mol. Its IUPAC name is 4-bromo-2-methyl-6-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name4-bromo-2-methyl-6-(trifluoromethoxy)aniline
PubChem CID118834612
Molecular FormulaC8H7BrF3NO
Molecular Weight270.05 g/mol
Exact Mass268.97
IUPAC Name4-bromo-2-methyl-6-(trifluoromethoxy)aniline
SMILESCc1cc(Br)cc(OC(F)(F)F)c1N
InChIInChI=1S/C8H7BrF3NO/c1-4-2-5(9)3-6(7(4)13)14-8(10,11)12/h2-3H,13H2,1H3
InChIKeyITDRIHCUTUCZDF-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 53.24
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 4-bromo-2-methyl-6-(trifluoromethoxy)aniline?
The IUPAC name of 4-bromo-2-methyl-6-(trifluoromethoxy)aniline (CID 118834612) is 4-bromo-2-methyl-6-(trifluoromethoxy)aniline.
What is the SMILES notation for 4-bromo-2-methyl-6-(trifluoromethoxy)aniline?
The canonical SMILES for 4-bromo-2-methyl-6-(trifluoromethoxy)aniline is Cc1cc(Br)cc(OC(F)(F)F)c1N.
What is the InChIKey of 4-bromo-2-methyl-6-(trifluoromethoxy)aniline?
The InChIKey is ITDRIHCUTUCZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO/c1-4-2-5(9)3-6(7(4)13)14-8(10,11)12/h2-3H,13H2,1H3.
What are the key properties of 4-bromo-2-methyl-6-(trifluoromethoxy)aniline?
4-bromo-2-methyl-6-(trifluoromethoxy)aniline has a molecular weight of 270.05 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-6-(trifluoromethoxy)aniline is sourced from PubChem (CID 118834612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).