5-fluoro-3H-pyrrole

C4H4FN — CID 67893608

IUPAC5-fluoro-3H-pyrrole
SMILESFC1=CCC=N1
InChIInChI=1S/C4H4FN/c5-4-2-1-3-6-4/h2-3H,1H2
InChIKeyLQGKFTCLFDMBJS-UHFFFAOYSA-N
MW85.08 g/mol
LogP1.27
Rot. Bonds

About 5-fluoro-3H-pyrrole

5-fluoro-3H-pyrrole (PubChem CID 67893608) has the molecular formula C4H4FN and a molecular weight of 85.08 g/mol. Its IUPAC name is 5-fluoro-3H-pyrrole.

Molecular Properties

Compound Name5-fluoro-3H-pyrrole
PubChem CID67893608
Molecular FormulaC4H4FN
Molecular Weight85.08 g/mol
Exact Mass85.03
IUPAC Name5-fluoro-3H-pyrrole
SMILESFC1=CCC=N1
InChIInChI=1S/C4H4FN/c5-4-2-1-3-6-4/h2-3H,1H2
InChIKeyLQGKFTCLFDMBJS-UHFFFAOYSA-N
XLogP1.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.08
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3H-pyrrole
CID 6857513
6-Fluoro-3,4-dihydropyridine
CID 67779683
5-Fluoro-3,3-dimethylpyrrole
CID 89115699
N-(3-fluoro-3,4-dihydropyridin-6-yl)methanimine
CID 91428814
3-Fluoro-3-methylpyrrole
CID 154640931
3,6-Difluoro-3,4-dihydropyridine
CID 156184120
2-fluoro-3H-pyrrole
CID 159036893
N-[(E)-1,3-difluorobut-1-enyl]propan-1-imine
CID 173467536
(Z)-N-[(E)-1-fluorobut-1-enyl]ethanimine
CID 142996733
4-fluoro-3H-pyrrole
CID 157991253
5-iodo-3H-pyrrole
CID 20641673
Bromozinc(1+);2,4-dihydropyrrol-2-ide
CID 57818405

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3H-pyrrole?
The IUPAC name of 5-fluoro-3H-pyrrole (CID 67893608) is 5-fluoro-3H-pyrrole.
What is the SMILES notation for 5-fluoro-3H-pyrrole?
The canonical SMILES for 5-fluoro-3H-pyrrole is FC1=CCC=N1.
What is the InChIKey of 5-fluoro-3H-pyrrole?
The InChIKey is LQGKFTCLFDMBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN/c5-4-2-1-3-6-4/h2-3H,1H2.
What are the key properties of 5-fluoro-3H-pyrrole?
5-fluoro-3H-pyrrole has a molecular weight of 85.08 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3H-pyrrole is sourced from PubChem (CID 67893608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).