5-(2-chloro-4-fluorophenoxy)furan-2-carboxylic acid

C11H6ClFO4 — CID 55049892

IUPAC5-(2-chloro-4-fluorophenoxy)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc(F)cc2Cl)o1
InChIInChI=1S/C11H6ClFO4/c12-7-5-6(13)1-2-8(7)16-10-4-3-9(17-10)11(14)15/h1-5H,(H,14,15)
InChIKeyWQGCENAGNQCKTR-UHFFFAOYSA-N
MW256.62 g/mol
LogP3.56
Rot. Bonds3

About 5-(2-chloro-4-fluorophenoxy)furan-2-carboxylic acid

5-(2-chloro-4-fluorophenoxy)furan-2-carboxylic acid (PubChem CID 55049892) has the molecular formula C11H6ClFO4 and a molecular weight of 256.62 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenoxy)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenoxy)furan-2-carboxylic acid
PubChem CID55049892
Molecular FormulaC11H6ClFO4
Molecular Weight256.62 g/mol
Exact Mass255.99
IUPAC Name5-(2-chloro-4-fluorophenoxy)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc(F)cc2Cl)o1
InChIInChI=1S/C11H6ClFO4/c12-7-5-6(13)1-2-8(7)16-10-4-3-9(17-10)11(14)15/h1-5H,(H,14,15)
InChIKeyWQGCENAGNQCKTR-UHFFFAOYSA-N
XLogP3.56
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.62
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenoxy)furan-2-carboxylic acid?
The IUPAC name of 5-(2-chloro-4-fluorophenoxy)furan-2-carboxylic acid (CID 55049892) is 5-(2-chloro-4-fluorophenoxy)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-chloro-4-fluorophenoxy)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-chloro-4-fluorophenoxy)furan-2-carboxylic acid is O=C(O)c1ccc(Oc2ccc(F)cc2Cl)o1.
What is the InChIKey of 5-(2-chloro-4-fluorophenoxy)furan-2-carboxylic acid?
The InChIKey is WQGCENAGNQCKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFO4/c12-7-5-6(13)1-2-8(7)16-10-4-3-9(17-10)11(14)15/h1-5H,(H,14,15).
What are the key properties of 5-(2-chloro-4-fluorophenoxy)furan-2-carboxylic acid?
5-(2-chloro-4-fluorophenoxy)furan-2-carboxylic acid has a molecular weight of 256.62 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluorophenoxy)furan-2-carboxylic acid is sourced from PubChem (CID 55049892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).