2-bromo-3-(furan-2-yl)-2-methylpropanoic acid

C8H9BrO3 — CID 67609490

IUPAC2-bromo-3-(furan-2-yl)-2-methylpropanoic acid
SMILESCC(Br)(Cc1ccco1)C(=O)O
InChIInChI=1S/C8H9BrO3/c1-8(9,7(10)11)5-6-3-2-4-12-6/h2-4H,5H2,1H3,(H,10,11)
InChIKeyOLMWOCNAEIGDAP-UHFFFAOYSA-N
MW233.06 g/mol
LogP2.06
Rot. Bonds3

About 2-bromo-3-(furan-2-yl)-2-methylpropanoic acid

2-bromo-3-(furan-2-yl)-2-methylpropanoic acid (PubChem CID 67609490) has the molecular formula C8H9BrO3 and a molecular weight of 233.06 g/mol. Its IUPAC name is 2-bromo-3-(furan-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-bromo-3-(furan-2-yl)-2-methylpropanoic acid
PubChem CID67609490
Molecular FormulaC8H9BrO3
Molecular Weight233.06 g/mol
Exact Mass231.97
IUPAC Name2-bromo-3-(furan-2-yl)-2-methylpropanoic acid
SMILESCC(Br)(Cc1ccco1)C(=O)O
InChIInChI=1S/C8H9BrO3/c1-8(9,7(10)11)5-6-3-2-4-12-6/h2-4H,5H2,1H3,(H,10,11)
InChIKeyOLMWOCNAEIGDAP-UHFFFAOYSA-N
XLogP2.06
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 62997938
2-(furan-2-ylmethyl)-2-methylbutanoic acid
CID 62998305
2,2-bis(furan-2-ylmethyl)pentanoic acid
CID 174666609
2-(2-bromo-6-fluorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid
CID 117048527
2-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid
CID 117048514
2-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid
CID 117048521
2-ethyl-2-(furan-2-ylmethyl)hexanoic acid
CID 62998124
2-bromo-3-[4-(2-bromo-2-carboxypropyl)phenyl]-2-methylpropanoic acid
CID 170340891
2-[1,3-bis(furan-2-yl)-2-(furan-2-ylmethyl)propan-2-yl]-4-(furan-2-yl)but-2-enoic acid
CID 54506556
3-amino-1-(furan-2-yl)-3-methylbutan-2-one
CID 82413823
2-[3-(furan-2-yl)propanoyl-methylamino]-2-methylpropanoic acid
CID 55123873
2,2,3-tris(furan-2-ylmethylsulfanyl)propanoic acid
CID 88542367

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(furan-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-bromo-3-(furan-2-yl)-2-methylpropanoic acid (CID 67609490) is 2-bromo-3-(furan-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-bromo-3-(furan-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-bromo-3-(furan-2-yl)-2-methylpropanoic acid is CC(Br)(Cc1ccco1)C(=O)O.
What is the InChIKey of 2-bromo-3-(furan-2-yl)-2-methylpropanoic acid?
The InChIKey is OLMWOCNAEIGDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO3/c1-8(9,7(10)11)5-6-3-2-4-12-6/h2-4H,5H2,1H3,(H,10,11).
What are the key properties of 2-bromo-3-(furan-2-yl)-2-methylpropanoic acid?
2-bromo-3-(furan-2-yl)-2-methylpropanoic acid has a molecular weight of 233.06 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(furan-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 67609490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).