3-bromo-7-fluoro-2,1-benzoxazole

C7H3BrFNO — CID 105469340

IUPAC3-bromo-7-fluoro-2,1-benzoxazole
SMILESFc1cccc2c(Br)onc12
InChIInChI=1S/C7H3BrFNO/c8-7-4-2-1-3-5(9)6(4)10-11-7/h1-3H
InChIKeyJWMBQXIIUDYFHG-UHFFFAOYSA-N
MW216.01 g/mol
LogP2.73
Rot. Bonds

About 3-bromo-7-fluoro-2,1-benzoxazole

3-bromo-7-fluoro-2,1-benzoxazole (PubChem CID 105469340) has the molecular formula C7H3BrFNO and a molecular weight of 216.01 g/mol. Its IUPAC name is 3-bromo-7-fluoro-2,1-benzoxazole.

Molecular Properties

Compound Name3-bromo-7-fluoro-2,1-benzoxazole
PubChem CID105469340
Molecular FormulaC7H3BrFNO
Molecular Weight216.01 g/mol
Exact Mass214.94
IUPAC Name3-bromo-7-fluoro-2,1-benzoxazole
SMILESFc1cccc2c(Br)onc12
InChIInChI=1S/C7H3BrFNO/c8-7-4-2-1-3-5(9)6(4)10-11-7/h1-3H
InChIKeyJWMBQXIIUDYFHG-UHFFFAOYSA-N
XLogP2.73
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.01
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-fluoro-2,1-benzoxazole?
The IUPAC name of 3-bromo-7-fluoro-2,1-benzoxazole (CID 105469340) is 3-bromo-7-fluoro-2,1-benzoxazole.
What is the SMILES notation for 3-bromo-7-fluoro-2,1-benzoxazole?
The canonical SMILES for 3-bromo-7-fluoro-2,1-benzoxazole is Fc1cccc2c(Br)onc12.
What is the InChIKey of 3-bromo-7-fluoro-2,1-benzoxazole?
The InChIKey is JWMBQXIIUDYFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrFNO/c8-7-4-2-1-3-5(9)6(4)10-11-7/h1-3H.
What are the key properties of 3-bromo-7-fluoro-2,1-benzoxazole?
3-bromo-7-fluoro-2,1-benzoxazole has a molecular weight of 216.01 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-fluoro-2,1-benzoxazole is sourced from PubChem (CID 105469340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).