3-fluoro-2,5-dihydro-1H-pyrrole

C4H6FN — CID 57469591

IUPAC3-fluoro-2,5-dihydro-1H-pyrrole
SMILESFC1=CCNC1
InChIInChI=1S/C4H6FN/c5-4-1-2-6-3-4/h1,6H,2-3H2
InChIKeyLUTBBSKDGQJPJM-UHFFFAOYSA-N
MW87.10 g/mol
LogP0.44
Rot. Bonds

About 3-fluoro-2,5-dihydro-1H-pyrrole

3-fluoro-2,5-dihydro-1H-pyrrole (PubChem CID 57469591) has the molecular formula C4H6FN and a molecular weight of 87.10 g/mol. Its IUPAC name is 3-fluoro-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-fluoro-2,5-dihydro-1H-pyrrole
PubChem CID57469591
Molecular FormulaC4H6FN
Molecular Weight87.10 g/mol
Exact Mass87.05
IUPAC Name3-fluoro-2,5-dihydro-1H-pyrrole
SMILESFC1=CCNC1
InChIInChI=1S/C4H6FN/c5-4-1-2-6-3-4/h1,6H,2-3H2
InChIKeyLUTBBSKDGQJPJM-UHFFFAOYSA-N
XLogP0.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.10
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-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 3-fluoro-2,5-dihydro-1H-pyrrole?
The IUPAC name of 3-fluoro-2,5-dihydro-1H-pyrrole (CID 57469591) is 3-fluoro-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 3-fluoro-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 3-fluoro-2,5-dihydro-1H-pyrrole is FC1=CCNC1.
What is the InChIKey of 3-fluoro-2,5-dihydro-1H-pyrrole?
The InChIKey is LUTBBSKDGQJPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN/c5-4-1-2-6-3-4/h1,6H,2-3H2.
What are the key properties of 3-fluoro-2,5-dihydro-1H-pyrrole?
3-fluoro-2,5-dihydro-1H-pyrrole has a molecular weight of 87.10 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 57469591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).