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

C9H9BrO3 — CID 82664923

IUPAC2-(2-bromofuran-3-yl)-2-cyclopropylacetic acid
SMILESO=C(O)C(c1ccoc1Br)C1CC1
InChIInChI=1S/C9H9BrO3/c10-8-6(3-4-13-8)7(9(11)12)5-1-2-5/h3-5,7H,1-2H2,(H,11,12)
InChIKeyXSQNGSFEIVNOCI-UHFFFAOYSA-N
MW245.07 g/mol
LogP2.62
Rot. Bonds3

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

2-(2-bromofuran-3-yl)-2-cyclopropylacetic acid (PubChem CID 82664923) has the molecular formula C9H9BrO3 and a molecular weight of 245.07 g/mol. Its IUPAC name is 2-(2-bromofuran-3-yl)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-(2-bromofuran-3-yl)-2-cyclopropylacetic acid
PubChem CID82664923
Molecular FormulaC9H9BrO3
Molecular Weight245.07 g/mol
Exact Mass243.97
IUPAC Name2-(2-bromofuran-3-yl)-2-cyclopropylacetic acid
SMILESO=C(O)C(c1ccoc1Br)C1CC1
InChIInChI=1S/C9H9BrO3/c10-8-6(3-4-13-8)7(9(11)12)5-1-2-5/h3-5,7H,1-2H2,(H,11,12)
InChIKeyXSQNGSFEIVNOCI-UHFFFAOYSA-N
XLogP2.62
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromofuran-3-yl)-2-cyclopropylacetic acid?
The IUPAC name of 2-(2-bromofuran-3-yl)-2-cyclopropylacetic acid (CID 82664923) is 2-(2-bromofuran-3-yl)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-(2-bromofuran-3-yl)-2-cyclopropylacetic acid?
The canonical SMILES for 2-(2-bromofuran-3-yl)-2-cyclopropylacetic acid is O=C(O)C(c1ccoc1Br)C1CC1.
What is the InChIKey of 2-(2-bromofuran-3-yl)-2-cyclopropylacetic acid?
The InChIKey is XSQNGSFEIVNOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO3/c10-8-6(3-4-13-8)7(9(11)12)5-1-2-5/h3-5,7H,1-2H2,(H,11,12).
What are the key properties of 2-(2-bromofuran-3-yl)-2-cyclopropylacetic acid?
2-(2-bromofuran-3-yl)-2-cyclopropylacetic acid has a molecular weight of 245.07 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromofuran-3-yl)-2-cyclopropylacetic acid is sourced from PubChem (CID 82664923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).