2-(3-bromofuran-2-yl)-2-methylpropanoic acid

C8H9BrO3 — CID 63948188

IUPAC2-(3-bromofuran-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1occc1Br
InChIInChI=1S/C8H9BrO3/c1-8(2,7(10)11)6-5(9)3-4-12-6/h3-4H,1-2H3,(H,10,11)
InChIKeyVPDNXDLDUBBVBC-UHFFFAOYSA-N
MW233.06 g/mol
LogP2.40
Rot. Bonds2

About 2-(3-bromofuran-2-yl)-2-methylpropanoic acid

2-(3-bromofuran-2-yl)-2-methylpropanoic acid (PubChem CID 63948188) has the molecular formula C8H9BrO3 and a molecular weight of 233.06 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-2-methylpropanoic acid
PubChem CID63948188
Molecular FormulaC8H9BrO3
Molecular Weight233.06 g/mol
Exact Mass231.97
IUPAC Name2-(3-bromofuran-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1occc1Br
InChIInChI=1S/C8H9BrO3/c1-8(2,7(10)11)6-5(9)3-4-12-6/h3-4H,1-2H3,(H,10,11)
InChIKeyVPDNXDLDUBBVBC-UHFFFAOYSA-N
XLogP2.40
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromofuran-2-yl)-2-methylpropanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(3-bromofuran-2-yl)-2-methylpropanoic acid (CID 63948188) is 2-(3-bromofuran-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(3-bromofuran-2-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1occc1Br.
What is the InChIKey of 2-(3-bromofuran-2-yl)-2-methylpropanoic acid?
The InChIKey is VPDNXDLDUBBVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO3/c1-8(2,7(10)11)6-5(9)3-4-12-6/h3-4H,1-2H3,(H,10,11).
What are the key properties of 2-(3-bromofuran-2-yl)-2-methylpropanoic acid?
2-(3-bromofuran-2-yl)-2-methylpropanoic acid has a molecular weight of 233.06 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 63948188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).