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

C7H3BrFNO — CID 131072299

IUPAC7-bromo-2-fluoro-1,3-benzoxazole
SMILESFc1nc2cccc(Br)c2o1
InChIInChI=1S/C7H3BrFNO/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H
InChIKeyOVEHPFMPSNHRIG-UHFFFAOYSA-N
MW216.01 g/mol
LogP2.73
Rot. Bonds

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

7-bromo-2-fluoro-1,3-benzoxazole (PubChem CID 131072299) has the molecular formula C7H3BrFNO and a molecular weight of 216.01 g/mol. Its IUPAC name is 7-bromo-2-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name7-bromo-2-fluoro-1,3-benzoxazole
PubChem CID131072299
Molecular FormulaC7H3BrFNO
Molecular Weight216.01 g/mol
Exact Mass214.94
IUPAC Name7-bromo-2-fluoro-1,3-benzoxazole
SMILESFc1nc2cccc(Br)c2o1
InChIInChI=1S/C7H3BrFNO/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H
InChIKeyOVEHPFMPSNHRIG-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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Related Compounds

7-bromo-2-(difluoromethyl)-1,3-benzoxazole
CID 131119022
2-bromo-1-(2-fluoro-1,3-benzoxazol-7-yl)ethanone
CID 130938708
7-bromo-1,3-benzoxazole-2-carbaldehyde
CID 53408473
4-(7-bromo-1,3-benzoxazol-2-yl)-3-fluorophenol
CID 135415997
7-bromo-1,3-benzoxazole-2-sulfonyl chloride
CID 130925383
2-(7-bromo-1,3-benzoxazol-2-yl)propan-2-amine
CID 81494751
3-(7-bromo-1,3-benzoxazol-2-yl)-4-fluoroaniline
CID 81496256
potassium 7-bromo-1,3-benzoxazole-2-carboxylate
CID 162763817
7-bromo-1,3-benzoxazole
CID 53408472
3-(7-bromo-1,3-benzoxazol-2-yl)-2-methylbutanoic acid
CID 103500360
7-bromo-2-(3-methylphenyl)-1,3-benzoxazole
CID 82233864
3-(7-bromo-1,3-benzoxazol-2-yl)aniline
CID 79017519

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-fluoro-1,3-benzoxazole?
The IUPAC name of 7-bromo-2-fluoro-1,3-benzoxazole (CID 131072299) is 7-bromo-2-fluoro-1,3-benzoxazole.
What is the SMILES notation for 7-bromo-2-fluoro-1,3-benzoxazole?
The canonical SMILES for 7-bromo-2-fluoro-1,3-benzoxazole is Fc1nc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-2-fluoro-1,3-benzoxazole?
The InChIKey is OVEHPFMPSNHRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrFNO/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H.
What are the key properties of 7-bromo-2-fluoro-1,3-benzoxazole?
7-bromo-2-fluoro-1,3-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 7-bromo-2-fluoro-1,3-benzoxazole is sourced from PubChem (CID 131072299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).