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

C4H6FN — CID 153968630

IUPAC2-fluoro-3,4-dihydro-2H-pyrrole
SMILESC1CC(N=C1)F
InChIInChI=1S/C4H6FN/c5-4-2-1-3-6-4/h3-4H,1-2H2
InChIKeyHEHNXFKLCSGEBI-UHFFFAOYSA-N
MW87.10 g/mol
LogP0.20
Rot. Bonds

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

2-fluoro-3,4-dihydro-2H-pyrrole (PubChem CID 153968630) has the molecular formula C4H6FN and a molecular weight of 87.10 g/mol. Its IUPAC name is 2-fluoro-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-fluoro-3,4-dihydro-2H-pyrrole
PubChem CID153968630
Molecular FormulaC4H6FN
Molecular Weight87.10 g/mol
Exact Mass87.05
IUPAC Name2-fluoro-3,4-dihydro-2H-pyrrole
SMILESC1CC(N=C1)F
InChIInChI=1S/C4H6FN/c5-4-2-1-3-6-4/h3-4H,1-2H2
InChIKeyHEHNXFKLCSGEBI-UHFFFAOYSA-N
XLogP0.20
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity69

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.10
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-fluoro-3,4-dihydro-2H-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-fluoro-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-fluoro-3,4-dihydro-2H-pyrrole (CID 153968630) is 2-fluoro-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-fluoro-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-fluoro-3,4-dihydro-2H-pyrrole is C1CC(N=C1)F.
What is the InChIKey of 2-fluoro-3,4-dihydro-2H-pyrrole?
The InChIKey is HEHNXFKLCSGEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN/c5-4-2-1-3-6-4/h3-4H,1-2H2.
What are the key properties of 2-fluoro-3,4-dihydro-2H-pyrrole?
2-fluoro-3,4-dihydro-2H-pyrrole has a molecular weight of 87.10 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 153968630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).