2-[1-(2-fluoroethyl)pyrrol-3-yl]propanoic acid

C9H12FNO2 — CID 84660009

IUPAC2-[1-(2-fluoroethyl)pyrrol-3-yl]propanoic acid
SMILESCC(C(=O)O)c1ccn(CCF)c1
InChIInChI=1S/C9H12FNO2/c1-7(9(12)13)8-2-4-11(6-8)5-3-10/h2,4,6-7H,3,5H2,1H3,(H,12,13)
InChIKeyWVSHFMMYYMXSDI-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.65
Rot. Bonds4

About 2-[1-(2-fluoroethyl)pyrrol-3-yl]propanoic acid

2-[1-(2-fluoroethyl)pyrrol-3-yl]propanoic acid (PubChem CID 84660009) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-[1-(2-fluoroethyl)pyrrol-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(2-fluoroethyl)pyrrol-3-yl]propanoic acid
PubChem CID84660009
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name2-[1-(2-fluoroethyl)pyrrol-3-yl]propanoic acid
SMILESCC(C(=O)O)c1ccn(CCF)c1
InChIInChI=1S/C9H12FNO2/c1-7(9(12)13)8-2-4-11(6-8)5-3-10/h2,4,6-7H,3,5H2,1H3,(H,12,13)
InChIKeyWVSHFMMYYMXSDI-UHFFFAOYSA-N
XLogP1.65
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2-fluoroethyl)pyrrol-3-yl]propanoic 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-[1-(2-fluoroethyl)pyrrol-3-yl]propanoic acid?
The IUPAC name of 2-[1-(2-fluoroethyl)pyrrol-3-yl]propanoic acid (CID 84660009) is 2-[1-(2-fluoroethyl)pyrrol-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(2-fluoroethyl)pyrrol-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(2-fluoroethyl)pyrrol-3-yl]propanoic acid is CC(C(=O)O)c1ccn(CCF)c1.
What is the InChIKey of 2-[1-(2-fluoroethyl)pyrrol-3-yl]propanoic acid?
The InChIKey is WVSHFMMYYMXSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-7(9(12)13)8-2-4-11(6-8)5-3-10/h2,4,6-7H,3,5H2,1H3,(H,12,13).
What are the key properties of 2-[1-(2-fluoroethyl)pyrrol-3-yl]propanoic acid?
2-[1-(2-fluoroethyl)pyrrol-3-yl]propanoic acid has a molecular weight of 185.20 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoroethyl)pyrrol-3-yl]propanoic acid is sourced from PubChem (CID 84660009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).