5-[1-(2-fluorophenoxy)ethyl]furan-2-carboxylic acid

C13H11FO4 — CID 79018091

IUPAC5-[1-(2-fluorophenoxy)ethyl]furan-2-carboxylic acid
SMILESCC(Oc1ccccc1F)c1ccc(C(=O)O)o1
InChIInChI=1S/C13H11FO4/c1-8(10-6-7-12(18-10)13(15)16)17-11-5-3-2-4-9(11)14/h2-8H,1H3,(H,15,16)
InChIKeyIYEPAILSHGSCNY-UHFFFAOYSA-N
MW250.22 g/mol
LogP3.26
Rot. Bonds4

About 5-[1-(2-fluorophenoxy)ethyl]furan-2-carboxylic acid

5-[1-(2-fluorophenoxy)ethyl]furan-2-carboxylic acid (PubChem CID 79018091) has the molecular formula C13H11FO4 and a molecular weight of 250.22 g/mol. Its IUPAC name is 5-[1-(2-fluorophenoxy)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2-fluorophenoxy)ethyl]furan-2-carboxylic acid
PubChem CID79018091
Molecular FormulaC13H11FO4
Molecular Weight250.22 g/mol
Exact Mass250.06
IUPAC Name5-[1-(2-fluorophenoxy)ethyl]furan-2-carboxylic acid
SMILESCC(Oc1ccccc1F)c1ccc(C(=O)O)o1
InChIInChI=1S/C13H11FO4/c1-8(10-6-7-12(18-10)13(15)16)17-11-5-3-2-4-9(11)14/h2-8H,1H3,(H,15,16)
InChIKeyIYEPAILSHGSCNY-UHFFFAOYSA-N
XLogP3.26
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[1-(2-fluorophenoxy)ethyl]furan-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

Related Compounds

5-[1-(2-methylsulfanylphenoxy)ethyl]furan-2-carboxylic acid
CID 79083816
5-[1-(4-fluorophenoxy)ethyl]furan-2-carboxylic acid
CID 20993514
5-[1-(2-fluoro-6-nitrophenoxy)ethyl]furan-2-carboxylic acid
CID 104831546
5-[1-(4-bromophenoxy)ethyl]furan-2-carboxylic acid
CID 22684931
5-[1-(3-propan-2-ylphenoxy)ethyl]furan-2-carboxylic acid
CID 20988808
5-[1-(5-bromo-2-chlorophenoxy)ethyl]furan-2-carboxylic acid
CID 79084510
5-[1-(2-bromo-4-methoxyphenoxy)ethyl]furan-2-carboxylic acid
CID 20984610
5-[1-(2-tert-butyl-5-methylphenoxy)ethyl]furan-2-carboxylic acid
CID 20985835
5-[1-(4-ethoxyphenoxy)ethyl]furan-2-carboxylic acid
CID 22680826
5-[1-(4-bromo-2,6-dimethylphenoxy)ethyl]furan-2-carboxylic acid
CID 20984623
methyl 5-[1-(2-nitrophenoxy)ethyl]furan-2-carboxylate
CID 79085289
(2S)-2-(2-fluorophenoxy)pentanoic acid
CID 40801009

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenoxy)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(2-fluorophenoxy)ethyl]furan-2-carboxylic acid (CID 79018091) is 5-[1-(2-fluorophenoxy)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(2-fluorophenoxy)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(2-fluorophenoxy)ethyl]furan-2-carboxylic acid is CC(Oc1ccccc1F)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-(2-fluorophenoxy)ethyl]furan-2-carboxylic acid?
The InChIKey is IYEPAILSHGSCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO4/c1-8(10-6-7-12(18-10)13(15)16)17-11-5-3-2-4-9(11)14/h2-8H,1H3,(H,15,16).
What are the key properties of 5-[1-(2-fluorophenoxy)ethyl]furan-2-carboxylic acid?
5-[1-(2-fluorophenoxy)ethyl]furan-2-carboxylic acid has a molecular weight of 250.22 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorophenoxy)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 79018091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).