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

C4H6FN — CID 148813049

IUPAC4-fluoro-2,3-dihydro-1H-pyrrole
SMILESFC1=CNCC1
InChIInChI=1S/C4H6FN/c5-4-1-2-6-3-4/h3,6H,1-2H2
InChIKeyOQHMCFNWAGNKOX-UHFFFAOYSA-N
MW87.10 g/mol
LogP0.79
Rot. Bonds

About 4-fluoro-2,3-dihydro-1H-pyrrole

4-fluoro-2,3-dihydro-1H-pyrrole (PubChem CID 148813049) has the molecular formula C4H6FN and a molecular weight of 87.10 g/mol. Its IUPAC name is 4-fluoro-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name4-fluoro-2,3-dihydro-1H-pyrrole
PubChem CID148813049
Molecular FormulaC4H6FN
Molecular Weight87.10 g/mol
Exact Mass87.05
IUPAC Name4-fluoro-2,3-dihydro-1H-pyrrole
SMILESFC1=CNCC1
InChIInChI=1S/C4H6FN/c5-4-1-2-6-3-4/h3,6H,1-2H2
InChIKeyOQHMCFNWAGNKOX-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,3-dihydro-1H-pyrrole?
The IUPAC name of 4-fluoro-2,3-dihydro-1H-pyrrole (CID 148813049) is 4-fluoro-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 4-fluoro-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 4-fluoro-2,3-dihydro-1H-pyrrole is FC1=CNCC1.
What is the InChIKey of 4-fluoro-2,3-dihydro-1H-pyrrole?
The InChIKey is OQHMCFNWAGNKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN/c5-4-1-2-6-3-4/h3,6H,1-2H2.
What are the key properties of 4-fluoro-2,3-dihydro-1H-pyrrole?
4-fluoro-2,3-dihydro-1H-pyrrole has a molecular weight of 87.10 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 148813049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).