7-bromo-4,5-difluoro-1,3-benzoxazole

C7H2BrF2NO — CID 150284903

IUPAC7-bromo-4,5-difluoro-1,3-benzoxazole
SMILESFc1cc(Br)c2ocnc2c1F
InChIInChI=1S/C7H2BrF2NO/c8-3-1-4(9)5(10)6-7(3)12-2-11-6/h1-2H
InChIKeyGGJFHZPSJONBPX-UHFFFAOYSA-N
MW234.00 g/mol
LogP2.87
Rot. Bonds

About 7-bromo-4,5-difluoro-1,3-benzoxazole

7-bromo-4,5-difluoro-1,3-benzoxazole (PubChem CID 150284903) has the molecular formula C7H2BrF2NO and a molecular weight of 234.00 g/mol. Its IUPAC name is 7-bromo-4,5-difluoro-1,3-benzoxazole.

Molecular Properties

Compound Name7-bromo-4,5-difluoro-1,3-benzoxazole
PubChem CID150284903
Molecular FormulaC7H2BrF2NO
Molecular Weight234.00 g/mol
Exact Mass232.93
IUPAC Name7-bromo-4,5-difluoro-1,3-benzoxazole
SMILESFc1cc(Br)c2ocnc2c1F
InChIInChI=1S/C7H2BrF2NO/c8-3-1-4(9)5(10)6-7(3)12-2-11-6/h1-2H
InChIKeyGGJFHZPSJONBPX-UHFFFAOYSA-N
XLogP2.87
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.00
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

7-bromo-5-fluoro-1,3-benzoxazole
CID 82095343
6-bromo-7-fluoro-1,3-benzoxazole
CID 122235305
6-bromo-4-fluoro-1,3-benzoxazole
CID 99770686
5-bromo-7-chloro-4-methyl-1,3-benzoxazole
CID 82232211
(7-bromo-4,5-difluoro-1-benzofuran-3-yl)methanol
CID 90384337
7-fluoro-N-methyl-1,3-benzoxazol-5-amine
CID 167253752
7-bromo-1,3-benzoxazole-5-carbaldehyde
CID 83892462
4,7-dimethyl-1,3-benzoxazol-5-amine
CID 82229632
ethyl 4-bromo-6-methyl-1,3-benzoxazole-7-carboxylate
CID 168825360
6-bromo-3,4-difluoro-2-methylaniline
CID 14738850
1-bromo-3-chloro-2,4,5-trifluorobenzene
CID 14978107
2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)-N-methylethanamine
CID 107102981

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4,5-difluoro-1,3-benzoxazole?
The IUPAC name of 7-bromo-4,5-difluoro-1,3-benzoxazole (CID 150284903) is 7-bromo-4,5-difluoro-1,3-benzoxazole.
What is the SMILES notation for 7-bromo-4,5-difluoro-1,3-benzoxazole?
The canonical SMILES for 7-bromo-4,5-difluoro-1,3-benzoxazole is Fc1cc(Br)c2ocnc2c1F.
What is the InChIKey of 7-bromo-4,5-difluoro-1,3-benzoxazole?
The InChIKey is GGJFHZPSJONBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF2NO/c8-3-1-4(9)5(10)6-7(3)12-2-11-6/h1-2H.
What are the key properties of 7-bromo-4,5-difluoro-1,3-benzoxazole?
7-bromo-4,5-difluoro-1,3-benzoxazole has a molecular weight of 234.00 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4,5-difluoro-1,3-benzoxazole is sourced from PubChem (CID 150284903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).