2-(1-fluoro-1-pyrrolidin-2-ylethyl)-2,5-dihydro-1H-pyrrole

C10H17FN2 — CID 130874765

IUPAC2-(1-fluoro-1-pyrrolidin-2-ylethyl)-2,5-dihydro-1H-pyrrole
SMILESCC(F)(C1C=CCN1)C1CCCN1
InChIInChI=1S/C10H17FN2/c1-10(11,8-4-2-6-12-8)9-5-3-7-13-9/h2,4,8-9,12-13H,3,5-7H2,1H3
InChIKeyYPEUCIBLGZYVEL-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.99
Rot. Bonds2

About 2-(1-fluoro-1-pyrrolidin-2-ylethyl)-2,5-dihydro-1H-pyrrole

2-(1-fluoro-1-pyrrolidin-2-ylethyl)-2,5-dihydro-1H-pyrrole (PubChem CID 130874765) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-(1-fluoro-1-pyrrolidin-2-ylethyl)-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-(1-fluoro-1-pyrrolidin-2-ylethyl)-2,5-dihydro-1H-pyrrole
PubChem CID130874765
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name2-(1-fluoro-1-pyrrolidin-2-ylethyl)-2,5-dihydro-1H-pyrrole
SMILESCC(F)(C1C=CCN1)C1CCCN1
InChIInChI=1S/C10H17FN2/c1-10(11,8-4-2-6-12-8)9-5-3-7-13-9/h2,4,8-9,12-13H,3,5-7H2,1H3
InChIKeyYPEUCIBLGZYVEL-UHFFFAOYSA-N
XLogP0.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(1-fluoro-1-pyrrolidin-2-ylethyl)-2,5-dihydro-1H-pyrrole 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-fluoro-1-pyrrolidin-2-ylethyl)-2,5-dihydro-1H-pyrrole?
The IUPAC name of 2-(1-fluoro-1-pyrrolidin-2-ylethyl)-2,5-dihydro-1H-pyrrole (CID 130874765) is 2-(1-fluoro-1-pyrrolidin-2-ylethyl)-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 2-(1-fluoro-1-pyrrolidin-2-ylethyl)-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 2-(1-fluoro-1-pyrrolidin-2-ylethyl)-2,5-dihydro-1H-pyrrole is CC(F)(C1C=CCN1)C1CCCN1.
What is the InChIKey of 2-(1-fluoro-1-pyrrolidin-2-ylethyl)-2,5-dihydro-1H-pyrrole?
The InChIKey is YPEUCIBLGZYVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2/c1-10(11,8-4-2-6-12-8)9-5-3-7-13-9/h2,4,8-9,12-13H,3,5-7H2,1H3.
What are the key properties of 2-(1-fluoro-1-pyrrolidin-2-ylethyl)-2,5-dihydro-1H-pyrrole?
2-(1-fluoro-1-pyrrolidin-2-ylethyl)-2,5-dihydro-1H-pyrrole has a molecular weight of 184.26 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-1-pyrrolidin-2-ylethyl)-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 130874765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).