7-bromo-3-(trifluoromethyl)-1,2-benzoxazole

C8H3BrF3NO — CID 82667205

IUPAC7-bromo-3-(trifluoromethyl)-1,2-benzoxazole
SMILESFC(F)(F)c1noc2c(Br)cccc12
InChIInChI=1S/C8H3BrF3NO/c9-5-3-1-2-4-6(5)14-13-7(4)8(10,11)12/h1-3H
InChIKeyHPKWJIKQUJFFQA-UHFFFAOYSA-N
MW266.02 g/mol
LogP3.61
Rot. Bonds

About 7-bromo-3-(trifluoromethyl)-1,2-benzoxazole

7-bromo-3-(trifluoromethyl)-1,2-benzoxazole (PubChem CID 82667205) has the molecular formula C8H3BrF3NO and a molecular weight of 266.02 g/mol. Its IUPAC name is 7-bromo-3-(trifluoromethyl)-1,2-benzoxazole.

Molecular Properties

Compound Name7-bromo-3-(trifluoromethyl)-1,2-benzoxazole
PubChem CID82667205
Molecular FormulaC8H3BrF3NO
Molecular Weight266.02 g/mol
Exact Mass264.94
IUPAC Name7-bromo-3-(trifluoromethyl)-1,2-benzoxazole
SMILESFC(F)(F)c1noc2c(Br)cccc12
InChIInChI=1S/C8H3BrF3NO/c9-5-3-1-2-4-6(5)14-13-7(4)8(10,11)12/h1-3H
InChIKeyHPKWJIKQUJFFQA-UHFFFAOYSA-N
XLogP3.61
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.02
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(trifluoromethyl)-1,2-benzoxazole?
The IUPAC name of 7-bromo-3-(trifluoromethyl)-1,2-benzoxazole (CID 82667205) is 7-bromo-3-(trifluoromethyl)-1,2-benzoxazole.
What is the SMILES notation for 7-bromo-3-(trifluoromethyl)-1,2-benzoxazole?
The canonical SMILES for 7-bromo-3-(trifluoromethyl)-1,2-benzoxazole is FC(F)(F)c1noc2c(Br)cccc12.
What is the InChIKey of 7-bromo-3-(trifluoromethyl)-1,2-benzoxazole?
The InChIKey is HPKWJIKQUJFFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF3NO/c9-5-3-1-2-4-6(5)14-13-7(4)8(10,11)12/h1-3H.
What are the key properties of 7-bromo-3-(trifluoromethyl)-1,2-benzoxazole?
7-bromo-3-(trifluoromethyl)-1,2-benzoxazole has a molecular weight of 266.02 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(trifluoromethyl)-1,2-benzoxazole is sourced from PubChem (CID 82667205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).