2-[2-fluoro-5-(5-methylfuran-2-yl)anilino]acetic acid

C13H12FNO3 — CID 171813675

IUPAC2-[2-fluoro-5-(5-methylfuran-2-yl)anilino]acetic acid
SMILESCc1ccc(-c2ccc(F)c(NCC(=O)O)c2)o1
InChIInChI=1S/C13H12FNO3/c1-8-2-5-12(18-8)9-3-4-10(14)11(6-9)15-7-13(16)17/h2-6,15H,7H2,1H3,(H,16,17)
InChIKeyYRVPLUWWIOXCMH-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.89
Rot. Bonds4

About 2-[2-fluoro-5-(5-methylfuran-2-yl)anilino]acetic acid

2-[2-fluoro-5-(5-methylfuran-2-yl)anilino]acetic acid (PubChem CID 171813675) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-[2-fluoro-5-(5-methylfuran-2-yl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-5-(5-methylfuran-2-yl)anilino]acetic acid
PubChem CID171813675
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name2-[2-fluoro-5-(5-methylfuran-2-yl)anilino]acetic acid
SMILESCc1ccc(-c2ccc(F)c(NCC(=O)O)c2)o1
InChIInChI=1S/C13H12FNO3/c1-8-2-5-12(18-8)9-3-4-10(14)11(6-9)15-7-13(16)17/h2-6,15H,7H2,1H3,(H,16,17)
InChIKeyYRVPLUWWIOXCMH-UHFFFAOYSA-N
XLogP2.89
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-fluoro-5-(5-methylfuran-2-yl)anilino]acetic 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 2-[2-fluoro-5-(5-methylfuran-2-yl)anilino]acetic acid?
The IUPAC name of 2-[2-fluoro-5-(5-methylfuran-2-yl)anilino]acetic acid (CID 171813675) is 2-[2-fluoro-5-(5-methylfuran-2-yl)anilino]acetic acid.
What is the SMILES notation for 2-[2-fluoro-5-(5-methylfuran-2-yl)anilino]acetic acid?
The canonical SMILES for 2-[2-fluoro-5-(5-methylfuran-2-yl)anilino]acetic acid is Cc1ccc(-c2ccc(F)c(NCC(=O)O)c2)o1.
What is the InChIKey of 2-[2-fluoro-5-(5-methylfuran-2-yl)anilino]acetic acid?
The InChIKey is YRVPLUWWIOXCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-8-2-5-12(18-8)9-3-4-10(14)11(6-9)15-7-13(16)17/h2-6,15H,7H2,1H3,(H,16,17).
What are the key properties of 2-[2-fluoro-5-(5-methylfuran-2-yl)anilino]acetic acid?
2-[2-fluoro-5-(5-methylfuran-2-yl)anilino]acetic acid has a molecular weight of 249.24 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(5-methylfuran-2-yl)anilino]acetic acid is sourced from PubChem (CID 171813675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).