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

C12H10ClFO3 — CID 62381035

IUPAC7-chloro-5-fluoro-3-propyl-1-benzofuran-2-carboxylic acid
SMILESCCCc1c(C(=O)O)oc2c(Cl)cc(F)cc12
InChIInChI=1S/C12H10ClFO3/c1-2-3-7-8-4-6(14)5-9(13)10(8)17-11(7)12(15)16/h4-5H,2-3H2,1H3,(H,15,16)
InChIKeyPGFSKQILYPGNSH-UHFFFAOYSA-N
MW256.66 g/mol
LogP3.88
Rot. Bonds3

About 7-chloro-5-fluoro-3-propyl-1-benzofuran-2-carboxylic acid

7-chloro-5-fluoro-3-propyl-1-benzofuran-2-carboxylic acid (PubChem CID 62381035) has the molecular formula C12H10ClFO3 and a molecular weight of 256.66 g/mol. Its IUPAC name is 7-chloro-5-fluoro-3-propyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-5-fluoro-3-propyl-1-benzofuran-2-carboxylic acid
PubChem CID62381035
Molecular FormulaC12H10ClFO3
Molecular Weight256.66 g/mol
Exact Mass256.03
IUPAC Name7-chloro-5-fluoro-3-propyl-1-benzofuran-2-carboxylic acid
SMILESCCCc1c(C(=O)O)oc2c(Cl)cc(F)cc12
InChIInChI=1S/C12H10ClFO3/c1-2-3-7-8-4-6(14)5-9(13)10(8)17-11(7)12(15)16/h4-5H,2-3H2,1H3,(H,15,16)
InChIKeyPGFSKQILYPGNSH-UHFFFAOYSA-N
XLogP3.88
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.66
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-chloro-5-fluoro-3-propyl-1-benzofuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-fluoro-3-propyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 7-chloro-5-fluoro-3-propyl-1-benzofuran-2-carboxylic acid (CID 62381035) is 7-chloro-5-fluoro-3-propyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 7-chloro-5-fluoro-3-propyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 7-chloro-5-fluoro-3-propyl-1-benzofuran-2-carboxylic acid is CCCc1c(C(=O)O)oc2c(Cl)cc(F)cc12.
What is the InChIKey of 7-chloro-5-fluoro-3-propyl-1-benzofuran-2-carboxylic acid?
The InChIKey is PGFSKQILYPGNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFO3/c1-2-3-7-8-4-6(14)5-9(13)10(8)17-11(7)12(15)16/h4-5H,2-3H2,1H3,(H,15,16).
What are the key properties of 7-chloro-5-fluoro-3-propyl-1-benzofuran-2-carboxylic acid?
7-chloro-5-fluoro-3-propyl-1-benzofuran-2-carboxylic acid has a molecular weight of 256.66 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-fluoro-3-propyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 62381035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).