5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid

C11H6ClFO3 — CID 2992775

IUPAC5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C11H6ClFO3/c12-7-5-6(1-2-8(7)13)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)
InChIKeyMGUVQRGVUWXOGD-UHFFFAOYSA-N
MW240.62 g/mol
LogP3.44
Rot. Bonds2

About 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid

5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid (PubChem CID 2992775) has the molecular formula C11H6ClFO3 and a molecular weight of 240.62 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid
PubChem CID2992775
Molecular FormulaC11H6ClFO3
Molecular Weight240.62 g/mol
Exact Mass240.00
IUPAC Name5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C11H6ClFO3/c12-7-5-6(1-2-8(7)13)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)
InChIKeyMGUVQRGVUWXOGD-UHFFFAOYSA-N
XLogP3.44
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.62
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid (CID 2992775) is 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid is O=C(O)c1ccc(-c2ccc(F)c(Cl)c2)o1.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid?
The InChIKey is MGUVQRGVUWXOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFO3/c12-7-5-6(1-2-8(7)13)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15).
What are the key properties of 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid?
5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid has a molecular weight of 240.62 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid is sourced from PubChem (CID 2992775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).