2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)acetic acid

C10H5BrF2O3 — CID 107100695

IUPAC2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)acetic acid
SMILESO=C(O)Cc1coc2c(F)c(F)cc(Br)c12
InChIInChI=1S/C10H5BrF2O3/c11-5-2-6(12)9(13)10-8(5)4(3-16-10)1-7(14)15/h2-3H,1H2,(H,14,15)
InChIKeyZOZMZGSELKBVEM-UHFFFAOYSA-N
MW291.05 g/mol
LogP3.10
Rot. Bonds2

About 2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)acetic acid

2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)acetic acid (PubChem CID 107100695) has the molecular formula C10H5BrF2O3 and a molecular weight of 291.05 g/mol. Its IUPAC name is 2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)acetic acid
PubChem CID107100695
Molecular FormulaC10H5BrF2O3
Molecular Weight291.05 g/mol
Exact Mass289.94
IUPAC Name2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)acetic acid
SMILESO=C(O)Cc1coc2c(F)c(F)cc(Br)c12
InChIInChI=1S/C10H5BrF2O3/c11-5-2-6(12)9(13)10-8(5)4(3-16-10)1-7(14)15/h2-3H,1H2,(H,14,15)
InChIKeyZOZMZGSELKBVEM-UHFFFAOYSA-N
XLogP3.10
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.05
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-6,7-difluoro-1-benzofuran-3-carboxylic acid
CID 107102379
2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)-N-methylethanamine
CID 107102981
(7-bromo-4,5-difluoro-1-benzofuran-3-yl)methanol
CID 90384337
2-(3-bromo-2,5,6-trifluorophenyl)acetic acid
CID 117111600
2-(2,3,4,5-tetrafluorophenyl)acetic acid
CID 18625682
2-(2-bromo-5-chloro-4-fluorophenyl)acetic acid
CID 68614790
2-(3,5-dibromo-2-fluorophenyl)acetic acid
CID 2773982
2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
CID 83900317
2-(3,5-dibromo-2,4-difluorophenyl)acetic acid
CID 121227978
4-bromo-3-cyclopropyl-6,7-difluoro-1-benzofuran-2-carboxylic acid
CID 107100692
2-[3-bromo-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetic acid
CID 130109842
2-(4-chloro-7-methyl-1-benzofuran-3-yl)acetic acid
CID 81036837

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)acetic acid?
The IUPAC name of 2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)acetic acid (CID 107100695) is 2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)acetic acid.
What is the SMILES notation for 2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)acetic acid?
The canonical SMILES for 2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)acetic acid is O=C(O)Cc1coc2c(F)c(F)cc(Br)c12.
What is the InChIKey of 2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)acetic acid?
The InChIKey is ZOZMZGSELKBVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF2O3/c11-5-2-6(12)9(13)10-8(5)4(3-16-10)1-7(14)15/h2-3H,1H2,(H,14,15).
What are the key properties of 2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)acetic acid?
2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)acetic acid has a molecular weight of 291.05 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)acetic acid is sourced from PubChem (CID 107100695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).