5-bromo-2-(trifluoromethyl)-2,3-dihydro-1,3-benzoxazole

C8H5BrF3NO — CID 166973305

IUPAC5-bromo-2-(trifluoromethyl)-2,3-dihydro-1,3-benzoxazole
SMILESFC(F)(F)C1Nc2cc(Br)ccc2O1
InChIInChI=1S/C8H5BrF3NO/c9-4-1-2-6-5(3-4)13-7(14-6)8(10,11)12/h1-3,7,13H
InChIKeyQIPXTAFWARSRDH-UHFFFAOYSA-N
MW268.03 g/mol
LogP3.14
Rot. Bonds

About 5-bromo-2-(trifluoromethyl)-2,3-dihydro-1,3-benzoxazole

5-bromo-2-(trifluoromethyl)-2,3-dihydro-1,3-benzoxazole (PubChem CID 166973305) has the molecular formula C8H5BrF3NO and a molecular weight of 268.03 g/mol. Its IUPAC name is 5-bromo-2-(trifluoromethyl)-2,3-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name5-bromo-2-(trifluoromethyl)-2,3-dihydro-1,3-benzoxazole
PubChem CID166973305
Molecular FormulaC8H5BrF3NO
Molecular Weight268.03 g/mol
Exact Mass266.95
IUPAC Name5-bromo-2-(trifluoromethyl)-2,3-dihydro-1,3-benzoxazole
SMILESFC(F)(F)C1Nc2cc(Br)ccc2O1
InChIInChI=1S/C8H5BrF3NO/c9-4-1-2-6-5(3-4)13-7(14-6)8(10,11)12/h1-3,7,13H
InChIKeyQIPXTAFWARSRDH-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.03
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(trifluoromethyl)-2,3-dihydro-1,3-benzoxazole?
The IUPAC name of 5-bromo-2-(trifluoromethyl)-2,3-dihydro-1,3-benzoxazole (CID 166973305) is 5-bromo-2-(trifluoromethyl)-2,3-dihydro-1,3-benzoxazole.
What is the SMILES notation for 5-bromo-2-(trifluoromethyl)-2,3-dihydro-1,3-benzoxazole?
The canonical SMILES for 5-bromo-2-(trifluoromethyl)-2,3-dihydro-1,3-benzoxazole is FC(F)(F)C1Nc2cc(Br)ccc2O1.
What is the InChIKey of 5-bromo-2-(trifluoromethyl)-2,3-dihydro-1,3-benzoxazole?
The InChIKey is QIPXTAFWARSRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3NO/c9-4-1-2-6-5(3-4)13-7(14-6)8(10,11)12/h1-3,7,13H.
What are the key properties of 5-bromo-2-(trifluoromethyl)-2,3-dihydro-1,3-benzoxazole?
5-bromo-2-(trifluoromethyl)-2,3-dihydro-1,3-benzoxazole has a molecular weight of 268.03 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(trifluoromethyl)-2,3-dihydro-1,3-benzoxazole is sourced from PubChem (CID 166973305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).