2-fluoro-1H-pyrrole

C4H4FN — CID 11586300

IUPAC2-fluoro-1H-pyrrole
SMILESFc1ccc[nH]1
InChIInChI=1S/C4H4FN/c5-4-2-1-3-6-4/h1-3,6H
InChIKeyCVCDRFTUJQLDOH-UHFFFAOYSA-N
MW85.08 g/mol
LogP1.15
Rot. Bonds

About 2-fluoro-1H-pyrrole

2-fluoro-1H-pyrrole (PubChem CID 11586300) has the molecular formula C4H4FN and a molecular weight of 85.08 g/mol. Its IUPAC name is 2-fluoro-1H-pyrrole.

Molecular Properties

Compound Name2-fluoro-1H-pyrrole
PubChem CID11586300
Molecular FormulaC4H4FN
Molecular Weight85.08 g/mol
Exact Mass85.03
IUPAC Name2-fluoro-1H-pyrrole
SMILESFc1ccc[nH]1
InChIInChI=1S/C4H4FN/c5-4-2-1-3-6-4/h1-3,6H
InChIKeyCVCDRFTUJQLDOH-UHFFFAOYSA-N
XLogP1.15
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.08
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1H-pyrrole?
The IUPAC name of 2-fluoro-1H-pyrrole (CID 11586300) is 2-fluoro-1H-pyrrole.
What is the SMILES notation for 2-fluoro-1H-pyrrole?
The canonical SMILES for 2-fluoro-1H-pyrrole is Fc1ccc[nH]1.
What is the InChIKey of 2-fluoro-1H-pyrrole?
The InChIKey is CVCDRFTUJQLDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN/c5-4-2-1-3-6-4/h1-3,6H.
What are the key properties of 2-fluoro-1H-pyrrole?
2-fluoro-1H-pyrrole has a molecular weight of 85.08 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1H-pyrrole is sourced from PubChem (CID 11586300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).