5-fluorofuran-2-carboxylic acid

C5H3FO3 — CID 21363887

IUPAC5-fluorofuran-2-carboxylic acid
SMILESO=C(O)c1ccc(F)o1
InChIInChI=1S/C5H3FO3/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
InChIKeySYEGQVXXGOEAMS-UHFFFAOYSA-N
MW130.07 g/mol
LogP1.12
Rot. Bonds1

About 5-fluorofuran-2-carboxylic acid

5-fluorofuran-2-carboxylic acid (PubChem CID 21363887) has the molecular formula C5H3FO3 and a molecular weight of 130.07 g/mol. Its IUPAC name is 5-fluorofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-fluorofuran-2-carboxylic acid
PubChem CID21363887
Molecular FormulaC5H3FO3
Molecular Weight130.07 g/mol
Exact Mass130.01
IUPAC Name5-fluorofuran-2-carboxylic acid
SMILESO=C(O)c1ccc(F)o1
InChIInChI=1S/C5H3FO3/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
InChIKeySYEGQVXXGOEAMS-UHFFFAOYSA-N
XLogP1.12
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.07
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluorofuran-2-carboxylic acid?
The IUPAC name of 5-fluorofuran-2-carboxylic acid (CID 21363887) is 5-fluorofuran-2-carboxylic acid.
What is the SMILES notation for 5-fluorofuran-2-carboxylic acid?
The canonical SMILES for 5-fluorofuran-2-carboxylic acid is O=C(O)c1ccc(F)o1.
What is the InChIKey of 5-fluorofuran-2-carboxylic acid?
The InChIKey is SYEGQVXXGOEAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FO3/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8).
What are the key properties of 5-fluorofuran-2-carboxylic acid?
5-fluorofuran-2-carboxylic acid has a molecular weight of 130.07 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorofuran-2-carboxylic acid is sourced from PubChem (CID 21363887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).