5-(3-bromofuran-2-yl)oxolane-2-carboxylic acid

C9H9BrO4 — CID 130585143

IUPAC5-(3-bromofuran-2-yl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(c2occc2Br)O1
InChIInChI=1S/C9H9BrO4/c10-5-3-4-13-8(5)6-1-2-7(14-6)9(11)12/h3-4,6-7H,1-2H2,(H,11,12)
InChIKeyMRVGSAKAGADHEA-UHFFFAOYSA-N
MW261.07 g/mol
LogP2.35
Rot. Bonds2

About 5-(3-bromofuran-2-yl)oxolane-2-carboxylic acid

5-(3-bromofuran-2-yl)oxolane-2-carboxylic acid (PubChem CID 130585143) has the molecular formula C9H9BrO4 and a molecular weight of 261.07 g/mol. Its IUPAC name is 5-(3-bromofuran-2-yl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-bromofuran-2-yl)oxolane-2-carboxylic acid
PubChem CID130585143
Molecular FormulaC9H9BrO4
Molecular Weight261.07 g/mol
Exact Mass259.97
IUPAC Name5-(3-bromofuran-2-yl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(c2occc2Br)O1
InChIInChI=1S/C9H9BrO4/c10-5-3-4-13-8(5)6-1-2-7(14-6)9(11)12/h3-4,6-7H,1-2H2,(H,11,12)
InChIKeyMRVGSAKAGADHEA-UHFFFAOYSA-N
XLogP2.35
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromofuran-2-yl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(3-bromofuran-2-yl)oxolane-2-carboxylic acid (CID 130585143) is 5-(3-bromofuran-2-yl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(3-bromofuran-2-yl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(3-bromofuran-2-yl)oxolane-2-carboxylic acid is O=C(O)C1CCC(c2occc2Br)O1.
What is the InChIKey of 5-(3-bromofuran-2-yl)oxolane-2-carboxylic acid?
The InChIKey is MRVGSAKAGADHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO4/c10-5-3-4-13-8(5)6-1-2-7(14-6)9(11)12/h3-4,6-7H,1-2H2,(H,11,12).
What are the key properties of 5-(3-bromofuran-2-yl)oxolane-2-carboxylic acid?
5-(3-bromofuran-2-yl)oxolane-2-carboxylic acid has a molecular weight of 261.07 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromofuran-2-yl)oxolane-2-carboxylic acid is sourced from PubChem (CID 130585143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).