3-(4-fluorophenyl)furan-2-carboxylic acid

C11H7FO3 — CID 19874616

IUPAC3-(4-fluorophenyl)furan-2-carboxylic acid
SMILESO=C(O)c1occc1-c1ccc(F)cc1
InChIInChI=1S/C11H7FO3/c12-8-3-1-7(2-4-8)9-5-6-15-10(9)11(13)14/h1-6H,(H,13,14)
InChIKeyAAKFSKGDIRKILO-UHFFFAOYSA-N
MW206.17 g/mol
LogP2.78
Rot. Bonds2

About 3-(4-fluorophenyl)furan-2-carboxylic acid

3-(4-fluorophenyl)furan-2-carboxylic acid (PubChem CID 19874616) has the molecular formula C11H7FO3 and a molecular weight of 206.17 g/mol. Its IUPAC name is 3-(4-fluorophenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)furan-2-carboxylic acid
PubChem CID19874616
Molecular FormulaC11H7FO3
Molecular Weight206.17 g/mol
Exact Mass206.04
IUPAC Name3-(4-fluorophenyl)furan-2-carboxylic acid
SMILESO=C(O)c1occc1-c1ccc(F)cc1
InChIInChI=1S/C11H7FO3/c12-8-3-1-7(2-4-8)9-5-6-15-10(9)11(13)14/h1-6H,(H,13,14)
InChIKeyAAKFSKGDIRKILO-UHFFFAOYSA-N
XLogP2.78
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)furan-2-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)furan-2-carboxylic acid (CID 19874616) is 3-(4-fluorophenyl)furan-2-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)furan-2-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)furan-2-carboxylic acid is O=C(O)c1occc1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)furan-2-carboxylic acid?
The InChIKey is AAKFSKGDIRKILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO3/c12-8-3-1-7(2-4-8)9-5-6-15-10(9)11(13)14/h1-6H,(H,13,14).
What are the key properties of 3-(4-fluorophenyl)furan-2-carboxylic acid?
3-(4-fluorophenyl)furan-2-carboxylic acid has a molecular weight of 206.17 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)furan-2-carboxylic acid is sourced from PubChem (CID 19874616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).