2-bromo-5-(difluoromethoxy)-1,3-benzoxazole

C8H4BrF2NO2 — CID 119024290

IUPAC2-bromo-5-(difluoromethoxy)-1,3-benzoxazole
SMILESFC(F)Oc1ccc2oc(Br)nc2c1
InChIInChI=1S/C8H4BrF2NO2/c9-7-12-5-3-4(13-8(10)11)1-2-6(5)14-7/h1-3,8H
InChIKeyROGOFTCGUHEZQR-UHFFFAOYSA-N
MW264.02 g/mol
LogP3.19
Rot. Bonds2

About 2-bromo-5-(difluoromethoxy)-1,3-benzoxazole

2-bromo-5-(difluoromethoxy)-1,3-benzoxazole (PubChem CID 119024290) has the molecular formula C8H4BrF2NO2 and a molecular weight of 264.02 g/mol. Its IUPAC name is 2-bromo-5-(difluoromethoxy)-1,3-benzoxazole.

Molecular Properties

Compound Name2-bromo-5-(difluoromethoxy)-1,3-benzoxazole
PubChem CID119024290
Molecular FormulaC8H4BrF2NO2
Molecular Weight264.02 g/mol
Exact Mass262.94
IUPAC Name2-bromo-5-(difluoromethoxy)-1,3-benzoxazole
SMILESFC(F)Oc1ccc2oc(Br)nc2c1
InChIInChI=1S/C8H4BrF2NO2/c9-7-12-5-3-4(13-8(10)11)1-2-6(5)14-7/h1-3,8H
InChIKeyROGOFTCGUHEZQR-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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(difluoromethoxy)-1,3-benzoxazole?
The IUPAC name of 2-bromo-5-(difluoromethoxy)-1,3-benzoxazole (CID 119024290) is 2-bromo-5-(difluoromethoxy)-1,3-benzoxazole.
What is the SMILES notation for 2-bromo-5-(difluoromethoxy)-1,3-benzoxazole?
The canonical SMILES for 2-bromo-5-(difluoromethoxy)-1,3-benzoxazole is FC(F)Oc1ccc2oc(Br)nc2c1.
What is the InChIKey of 2-bromo-5-(difluoromethoxy)-1,3-benzoxazole?
The InChIKey is ROGOFTCGUHEZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF2NO2/c9-7-12-5-3-4(13-8(10)11)1-2-6(5)14-7/h1-3,8H.
What are the key properties of 2-bromo-5-(difluoromethoxy)-1,3-benzoxazole?
2-bromo-5-(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-5-(difluoromethoxy)-1,3-benzoxazole is sourced from PubChem (CID 119024290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).