methyl 2-(2-bromo-6-fluoro-1-benzofuran-3-yl)acetate

C11H8BrFO3 — CID 97036596

IUPACmethyl 2-(2-bromo-6-fluoro-1-benzofuran-3-yl)acetate
SMILESCOC(=O)Cc1c(Br)oc2cc(F)ccc12
InChIInChI=1S/C11H8BrFO3/c1-15-10(14)5-8-7-3-2-6(13)4-9(7)16-11(8)12/h2-4H,5H2,1H3
InChIKeyQFPRDNBAMCIOQS-UHFFFAOYSA-N
MW287.08 g/mol
LogP3.05
Rot. Bonds2

About methyl 2-(2-bromo-6-fluoro-1-benzofuran-3-yl)acetate

methyl 2-(2-bromo-6-fluoro-1-benzofuran-3-yl)acetate (PubChem CID 97036596) has the molecular formula C11H8BrFO3 and a molecular weight of 287.08 g/mol. Its IUPAC name is methyl 2-(2-bromo-6-fluoro-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-bromo-6-fluoro-1-benzofuran-3-yl)acetate
PubChem CID97036596
Molecular FormulaC11H8BrFO3
Molecular Weight287.08 g/mol
Exact Mass285.96
IUPAC Namemethyl 2-(2-bromo-6-fluoro-1-benzofuran-3-yl)acetate
SMILESCOC(=O)Cc1c(Br)oc2cc(F)ccc12
InChIInChI=1S/C11H8BrFO3/c1-15-10(14)5-8-7-3-2-6(13)4-9(7)16-11(8)12/h2-4H,5H2,1H3
InChIKeyQFPRDNBAMCIOQS-UHFFFAOYSA-N
XLogP3.05
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.08
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(2-bromo-6-fluoro-1-benzofuran-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(6-fluoro-2-oxo-4-phenylchromen-3-yl)acetate
CID 132519209
methyl 2-(7-acetyloxy-3-bromo-2-oxochromen-4-yl)acetate
CID 134867768
methyl 2-(3-bromo-2,5,6-trifluorophenyl)acetate
CID 131522838
methyl 2-(2-bromo-4,6-difluorophenyl)acetate
CID 130729909
methyl 2-(2,4,6-trifluorophenyl)acetate
CID 66608247
methyl 2-[5-fluoro-3-[(S)-methylsulfinyl]-1-benzofuran-2-yl]acetate
CID 139077261
methyl 2-[5-(2-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate
CID 82885519
methyl 2-(2-amino-4-fluorophenyl)acetate
CID 54072159
methyl 3-(2-bromo-4-fluorophenyl)propanoate
CID 12047938
2-(2-bromo-5-fluoro-6-methyl-1-benzofuran-3-yl)acetic acid
CID 97036614
methyl 2-(7-amino-4-methyl-2-oxochromen-3-yl)acetate
CID 86668467
methyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate
CID 171010904

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromo-6-fluoro-1-benzofuran-3-yl)acetate?
The IUPAC name of methyl 2-(2-bromo-6-fluoro-1-benzofuran-3-yl)acetate (CID 97036596) is methyl 2-(2-bromo-6-fluoro-1-benzofuran-3-yl)acetate.
What is the SMILES notation for methyl 2-(2-bromo-6-fluoro-1-benzofuran-3-yl)acetate?
The canonical SMILES for methyl 2-(2-bromo-6-fluoro-1-benzofuran-3-yl)acetate is COC(=O)Cc1c(Br)oc2cc(F)ccc12.
What is the InChIKey of methyl 2-(2-bromo-6-fluoro-1-benzofuran-3-yl)acetate?
The InChIKey is QFPRDNBAMCIOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFO3/c1-15-10(14)5-8-7-3-2-6(13)4-9(7)16-11(8)12/h2-4H,5H2,1H3.
What are the key properties of methyl 2-(2-bromo-6-fluoro-1-benzofuran-3-yl)acetate?
methyl 2-(2-bromo-6-fluoro-1-benzofuran-3-yl)acetate has a molecular weight of 287.08 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromo-6-fluoro-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 97036596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).