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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Related Compounds

(3S)-6-bromo-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94977042
(3S)-6-bromo-3-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 125486624
6-bromo-3-cyclobutyl-3,4-dihydro-2H-1,4-benzoxazine
CID 116837330
5-bromo-2-fluoro-1,3-benzodioxole
CID 143412391
5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 83488810
(6-bromo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol;hydrochloride
CID 136576225
6-bromo-3-(2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837314
2-(4-bromophenyl)-6-(trifluoromethoxy)-4H-1,4-benzoxazin-3-one
CID 118982302
2-(6-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetonitrile
CID 84634836
3-(1,3-benzodioxol-5-yl)-6-bromo-3,4-dihydro-2H-1,4-benzoxazine
CID 116837297
6-bromo-3-(3,4-dimethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837284
5-fluoro-2,3-dihydro-1,3-benzoxazol-2-amine
CID 164602655

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).