2-[1-(2-fluoropropyl)pyrrol-3-yl]acetic acid

C9H12FNO2 — CID 84660008

IUPAC2-[1-(2-fluoropropyl)pyrrol-3-yl]acetic acid
SMILESCC(F)Cn1ccc(CC(=O)O)c1
InChIInChI=1S/C9H12FNO2/c1-7(10)5-11-3-2-8(6-11)4-9(12)13/h2-3,6-7H,4-5H2,1H3,(H,12,13)
InChIKeyDRQNYUYMAJQTOC-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.47
Rot. Bonds4

About 2-[1-(2-fluoropropyl)pyrrol-3-yl]acetic acid

2-[1-(2-fluoropropyl)pyrrol-3-yl]acetic acid (PubChem CID 84660008) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-[1-(2-fluoropropyl)pyrrol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-fluoropropyl)pyrrol-3-yl]acetic acid
PubChem CID84660008
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name2-[1-(2-fluoropropyl)pyrrol-3-yl]acetic acid
SMILESCC(F)Cn1ccc(CC(=O)O)c1
InChIInChI=1S/C9H12FNO2/c1-7(10)5-11-3-2-8(6-11)4-9(12)13/h2-3,6-7H,4-5H2,1H3,(H,12,13)
InChIKeyDRQNYUYMAJQTOC-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2-fluoropropyl)pyrrol-3-yl]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-[1-(2-fluoropropyl)pyrrol-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-fluoropropyl)pyrrol-3-yl]acetic acid (CID 84660008) is 2-[1-(2-fluoropropyl)pyrrol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-fluoropropyl)pyrrol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-fluoropropyl)pyrrol-3-yl]acetic acid is CC(F)Cn1ccc(CC(=O)O)c1.
What is the InChIKey of 2-[1-(2-fluoropropyl)pyrrol-3-yl]acetic acid?
The InChIKey is DRQNYUYMAJQTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-7(10)5-11-3-2-8(6-11)4-9(12)13/h2-3,6-7H,4-5H2,1H3,(H,12,13).
What are the key properties of 2-[1-(2-fluoropropyl)pyrrol-3-yl]acetic acid?
2-[1-(2-fluoropropyl)pyrrol-3-yl]acetic acid has a molecular weight of 185.20 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoropropyl)pyrrol-3-yl]acetic acid is sourced from PubChem (CID 84660008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).