4-bromo-7-(trifluoromethoxy)-1,2-benzoxazol-3-amine

C8H4BrF3N2O2 — CID 24808323

IUPAC4-bromo-7-(trifluoromethoxy)-1,2-benzoxazol-3-amine
SMILESNc1noc2c(OC(F)(F)F)ccc(Br)c12
InChIInChI=1S/C8H4BrF3N2O2/c9-3-1-2-4(15-8(10,11)12)6-5(3)7(13)14-16-6/h1-2H,(H2,13,14)
InChIKeyDIXLJBZLCZBNCY-UHFFFAOYSA-N
MW297.03 g/mol
LogP3.07
Rot. Bonds1

About 4-bromo-7-(trifluoromethoxy)-1,2-benzoxazol-3-amine

4-bromo-7-(trifluoromethoxy)-1,2-benzoxazol-3-amine (PubChem CID 24808323) has the molecular formula C8H4BrF3N2O2 and a molecular weight of 297.03 g/mol. Its IUPAC name is 4-bromo-7-(trifluoromethoxy)-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name4-bromo-7-(trifluoromethoxy)-1,2-benzoxazol-3-amine
PubChem CID24808323
Molecular FormulaC8H4BrF3N2O2
Molecular Weight297.03 g/mol
Exact Mass295.94
IUPAC Name4-bromo-7-(trifluoromethoxy)-1,2-benzoxazol-3-amine
SMILESNc1noc2c(OC(F)(F)F)ccc(Br)c12
InChIInChI=1S/C8H4BrF3N2O2/c9-3-1-2-4(15-8(10,11)12)6-5(3)7(13)14-16-6/h1-2H,(H2,13,14)
InChIKeyDIXLJBZLCZBNCY-UHFFFAOYSA-N
XLogP3.07
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.03
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-(trifluoromethoxy)-1,2-benzoxazol-3-amine?
The IUPAC name of 4-bromo-7-(trifluoromethoxy)-1,2-benzoxazol-3-amine (CID 24808323) is 4-bromo-7-(trifluoromethoxy)-1,2-benzoxazol-3-amine.
What is the SMILES notation for 4-bromo-7-(trifluoromethoxy)-1,2-benzoxazol-3-amine?
The canonical SMILES for 4-bromo-7-(trifluoromethoxy)-1,2-benzoxazol-3-amine is Nc1noc2c(OC(F)(F)F)ccc(Br)c12.
What is the InChIKey of 4-bromo-7-(trifluoromethoxy)-1,2-benzoxazol-3-amine?
The InChIKey is DIXLJBZLCZBNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3N2O2/c9-3-1-2-4(15-8(10,11)12)6-5(3)7(13)14-16-6/h1-2H,(H2,13,14).
What are the key properties of 4-bromo-7-(trifluoromethoxy)-1,2-benzoxazol-3-amine?
4-bromo-7-(trifluoromethoxy)-1,2-benzoxazol-3-amine has a molecular weight of 297.03 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-(trifluoromethoxy)-1,2-benzoxazol-3-amine is sourced from PubChem (CID 24808323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).