3-[1-(2,2-difluoropropyl)pyrrol-3-yl]-2-methylpropanoic acid

C11H15F2NO2 — CID 84694407

IUPAC3-[1-(2,2-difluoropropyl)pyrrol-3-yl]-2-methylpropanoic acid
SMILESCC(Cc1ccn(CC(C)(F)F)c1)C(=O)O
InChIInChI=1S/C11H15F2NO2/c1-8(10(15)16)5-9-3-4-14(6-9)7-11(2,12)13/h3-4,6,8H,5,7H2,1-2H3,(H,15,16)
InChIKeyGWLJLSBABJAYES-UHFFFAOYSA-N
MW231.24 g/mol
LogP2.41
Rot. Bonds5

About 3-[1-(2,2-difluoropropyl)pyrrol-3-yl]-2-methylpropanoic acid

3-[1-(2,2-difluoropropyl)pyrrol-3-yl]-2-methylpropanoic acid (PubChem CID 84694407) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 3-[1-(2,2-difluoropropyl)pyrrol-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[1-(2,2-difluoropropyl)pyrrol-3-yl]-2-methylpropanoic acid
PubChem CID84694407
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name3-[1-(2,2-difluoropropyl)pyrrol-3-yl]-2-methylpropanoic acid
SMILESCC(Cc1ccn(CC(C)(F)F)c1)C(=O)O
InChIInChI=1S/C11H15F2NO2/c1-8(10(15)16)5-9-3-4-14(6-9)7-11(2,12)13/h3-4,6,8H,5,7H2,1-2H3,(H,15,16)
InChIKeyGWLJLSBABJAYES-UHFFFAOYSA-N
XLogP2.41
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1-(2,2-difluoropropyl)pyrrol-3-yl]-2-methylpropanoic 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 3-[1-(2,2-difluoropropyl)pyrrol-3-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[1-(2,2-difluoropropyl)pyrrol-3-yl]-2-methylpropanoic acid (CID 84694407) is 3-[1-(2,2-difluoropropyl)pyrrol-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[1-(2,2-difluoropropyl)pyrrol-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[1-(2,2-difluoropropyl)pyrrol-3-yl]-2-methylpropanoic acid is CC(Cc1ccn(CC(C)(F)F)c1)C(=O)O.
What is the InChIKey of 3-[1-(2,2-difluoropropyl)pyrrol-3-yl]-2-methylpropanoic acid?
The InChIKey is GWLJLSBABJAYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-8(10(15)16)5-9-3-4-14(6-9)7-11(2,12)13/h3-4,6,8H,5,7H2,1-2H3,(H,15,16).
What are the key properties of 3-[1-(2,2-difluoropropyl)pyrrol-3-yl]-2-methylpropanoic acid?
3-[1-(2,2-difluoropropyl)pyrrol-3-yl]-2-methylpropanoic acid has a molecular weight of 231.24 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-difluoropropyl)pyrrol-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 84694407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).