6-bromo-4-fluoro-2-benzofuran-1,3-dione

C8H2BrFO3 — CID 162731905

IUPAC6-bromo-4-fluoro-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2c(F)cc(Br)cc21
InChIInChI=1S/C8H2BrFO3/c9-3-1-4-6(5(10)2-3)8(12)13-7(4)11/h1-2H
InChIKeyGWNKFLHJVUBFLH-UHFFFAOYSA-N
MW245.00 g/mol
LogP1.90
Rot. Bonds

About 6-bromo-4-fluoro-2-benzofuran-1,3-dione

6-bromo-4-fluoro-2-benzofuran-1,3-dione (PubChem CID 162731905) has the molecular formula C8H2BrFO3 and a molecular weight of 245.00 g/mol. Its IUPAC name is 6-bromo-4-fluoro-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name6-bromo-4-fluoro-2-benzofuran-1,3-dione
PubChem CID162731905
Molecular FormulaC8H2BrFO3
Molecular Weight245.00 g/mol
Exact Mass243.92
IUPAC Name6-bromo-4-fluoro-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2c(F)cc(Br)cc21
InChIInChI=1S/C8H2BrFO3/c9-3-1-4-6(5(10)2-3)8(12)13-7(4)11/h1-2H
InChIKeyGWNKFLHJVUBFLH-UHFFFAOYSA-N
XLogP1.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.00
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

6-tert-butyl-4-fluoro-2-benzofuran-1,3-dione
CID 122488293
6-bromo-8-fluoro-1,3-benzodioxin-4-one
CID 122237026
4,5-difluoro-2-benzofuran-1,3-dione
CID 15106096
4,7-difluoro-5-sulfanyl-2-benzofuran-1,3-dione
CID 59861850
5-bromo-2-[2-[2-(4-bromo-2,6-difluorophenyl)phenyl]sulfonylphenyl]-1,3-difluorobenzene
CID 141174374
9-bromo-4,7-difluoro-5H-benzo[b][1,4]benzoxazepin-6-one
CID 68759173
5-bromo-7-fluoro-3H-1-benzofuran-2-one
CID 159399990
5-bromo-4-methoxy-6-methyl-2-benzofuran-1,3-dione
CID 82379179
4,6-dihydroxy-2-benzofuran-1,3-dione
CID 102318969
4,6-bis(trifluoromethyl)-2-benzofuran-1,3-dione
CID 150469709
4-(4-bromo-2,6-difluorophenyl)morpholine-2,6-dione
CID 65499867
2,10-difluoro-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12-trione
CID 155048913

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-2-benzofuran-1,3-dione?
The IUPAC name of 6-bromo-4-fluoro-2-benzofuran-1,3-dione (CID 162731905) is 6-bromo-4-fluoro-2-benzofuran-1,3-dione.
What is the SMILES notation for 6-bromo-4-fluoro-2-benzofuran-1,3-dione?
The canonical SMILES for 6-bromo-4-fluoro-2-benzofuran-1,3-dione is O=C1OC(=O)c2c(F)cc(Br)cc21.
What is the InChIKey of 6-bromo-4-fluoro-2-benzofuran-1,3-dione?
The InChIKey is GWNKFLHJVUBFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrFO3/c9-3-1-4-6(5(10)2-3)8(12)13-7(4)11/h1-2H.
What are the key properties of 6-bromo-4-fluoro-2-benzofuran-1,3-dione?
6-bromo-4-fluoro-2-benzofuran-1,3-dione has a molecular weight of 245.00 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoro-2-benzofuran-1,3-dione is sourced from PubChem (CID 162731905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).