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

C8H4BrF2NO2 — CID 118996479

IUPAC2-bromo-7-(difluoromethoxy)-1,3-benzoxazole
SMILESFC(F)Oc1cccc2nc(Br)oc12
InChIInChI=1S/C8H4BrF2NO2/c9-7-12-4-2-1-3-5(6(4)14-7)13-8(10)11/h1-3,8H
InChIKeyBNTNTPVGHSIFFR-UHFFFAOYSA-N
MW264.02 g/mol
LogP3.19
Rot. Bonds2

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

2-bromo-7-(difluoromethoxy)-1,3-benzoxazole (PubChem CID 118996479) has the molecular formula C8H4BrF2NO2 and a molecular weight of 264.02 g/mol. Its IUPAC name is 2-bromo-7-(difluoromethoxy)-1,3-benzoxazole.

Molecular Properties

Compound Name2-bromo-7-(difluoromethoxy)-1,3-benzoxazole
PubChem CID118996479
Molecular FormulaC8H4BrF2NO2
Molecular Weight264.02 g/mol
Exact Mass262.94
IUPAC Name2-bromo-7-(difluoromethoxy)-1,3-benzoxazole
SMILESFC(F)Oc1cccc2nc(Br)oc12
InChIInChI=1S/C8H4BrF2NO2/c9-7-12-4-2-1-3-5(6(4)14-7)13-8(10)11/h1-3,8H
InChIKeyBNTNTPVGHSIFFR-UHFFFAOYSA-N
XLogP3.19
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.02
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[7-(difluoromethoxy)-1,3-benzoxazol-2-yl]ethanone
CID 118992474
1,5-bis(difluoromethoxy)naphthalene
CID 166641341
2-bromo-7-(bromomethyl)-1,3-benzoxazole
CID 118997386
2-(difluoromethoxy)-7-fluoro-1,3-benzoxazole
CID 118803478
2-bromo-5-(difluoromethoxy)-1,3-benzoxazole
CID 119024290
4-(difluoromethoxy)-2-fluoro-1,3-benzoxazole
CID 118823794
2,4-bis(difluoromethoxy)-1,3-benzoxazole
CID 119004569
2-[2-bromo-6-(difluoromethoxy)phenyl]-1H-benzimidazole
CID 168555283
7-bromo-2-(difluoromethyl)-1,3-benzoxazole
CID 131119022
7-methoxy-2-methylsulfanyl-1,3-benzoxazole
CID 130784427
1-bromo-3-[2-(difluoromethoxy)phenyl]-2-fluorobenzene
CID 175713970
1,3-bis(difluoromethoxy)-2-methylbenzene;ethane
CID 145191188

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-(difluoromethoxy)-1,3-benzoxazole?
The IUPAC name of 2-bromo-7-(difluoromethoxy)-1,3-benzoxazole (CID 118996479) is 2-bromo-7-(difluoromethoxy)-1,3-benzoxazole.
What is the SMILES notation for 2-bromo-7-(difluoromethoxy)-1,3-benzoxazole?
The canonical SMILES for 2-bromo-7-(difluoromethoxy)-1,3-benzoxazole is FC(F)Oc1cccc2nc(Br)oc12.
What is the InChIKey of 2-bromo-7-(difluoromethoxy)-1,3-benzoxazole?
The InChIKey is BNTNTPVGHSIFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF2NO2/c9-7-12-4-2-1-3-5(6(4)14-7)13-8(10)11/h1-3,8H.
What are the key properties of 2-bromo-7-(difluoromethoxy)-1,3-benzoxazole?
2-bromo-7-(difluoromethoxy)-1,3-benzoxazole has a molecular weight of 264.02 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-(difluoromethoxy)-1,3-benzoxazole is sourced from PubChem (CID 118996479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).