2-chloro-5-fluoro-1-benzofuran-3-carboxylic acid

C9H4ClFO3 — CID 83821470

IUPAC2-chloro-5-fluoro-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(Cl)oc2ccc(F)cc12
InChIInChI=1S/C9H4ClFO3/c10-8-7(9(12)13)5-3-4(11)1-2-6(5)14-8/h1-3H,(H,12,13)
InChIKeyFCCUKZZJRDJGKV-UHFFFAOYSA-N
MW214.58 g/mol
LogP2.92
Rot. Bonds1

About 2-chloro-5-fluoro-1-benzofuran-3-carboxylic acid

2-chloro-5-fluoro-1-benzofuran-3-carboxylic acid (PubChem CID 83821470) has the molecular formula C9H4ClFO3 and a molecular weight of 214.58 g/mol. Its IUPAC name is 2-chloro-5-fluoro-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-fluoro-1-benzofuran-3-carboxylic acid
PubChem CID83821470
Molecular FormulaC9H4ClFO3
Molecular Weight214.58 g/mol
Exact Mass213.98
IUPAC Name2-chloro-5-fluoro-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(Cl)oc2ccc(F)cc12
InChIInChI=1S/C9H4ClFO3/c10-8-7(9(12)13)5-3-4(11)1-2-6(5)14-8/h1-3H,(H,12,13)
InChIKeyFCCUKZZJRDJGKV-UHFFFAOYSA-N
XLogP2.92
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.58
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-1-benzofuran-3-carboxylic acid?
The IUPAC name of 2-chloro-5-fluoro-1-benzofuran-3-carboxylic acid (CID 83821470) is 2-chloro-5-fluoro-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 2-chloro-5-fluoro-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 2-chloro-5-fluoro-1-benzofuran-3-carboxylic acid is O=C(O)c1c(Cl)oc2ccc(F)cc12.
What is the InChIKey of 2-chloro-5-fluoro-1-benzofuran-3-carboxylic acid?
The InChIKey is FCCUKZZJRDJGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClFO3/c10-8-7(9(12)13)5-3-4(11)1-2-6(5)14-8/h1-3H,(H,12,13).
What are the key properties of 2-chloro-5-fluoro-1-benzofuran-3-carboxylic acid?
2-chloro-5-fluoro-1-benzofuran-3-carboxylic acid has a molecular weight of 214.58 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 83821470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).