5-fluoro-2H-pyrrole

C4H4FN — CID 142782216

IUPAC5-fluoro-2H-pyrrole
SMILESFC1=NCC=C1
InChIInChI=1S/C4H4FN/c5-4-2-1-3-6-4/h1-2H,3H2
InChIKeyDWJFCZNSBQPSIE-UHFFFAOYSA-N
MW85.08 g/mol
LogP0.92
Rot. Bonds

About 5-fluoro-2H-pyrrole

5-fluoro-2H-pyrrole (PubChem CID 142782216) has the molecular formula C4H4FN and a molecular weight of 85.08 g/mol. Its IUPAC name is 5-fluoro-2H-pyrrole.

Molecular Properties

Compound Name5-fluoro-2H-pyrrole
PubChem CID142782216
Molecular FormulaC4H4FN
Molecular Weight85.08 g/mol
Exact Mass85.03
IUPAC Name5-fluoro-2H-pyrrole
SMILESFC1=NCC=C1
InChIInChI=1S/C4H4FN/c5-4-2-1-3-6-4/h1-2H,3H2
InChIKeyDWJFCZNSBQPSIE-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2H-pyrrole?
The IUPAC name of 5-fluoro-2H-pyrrole (CID 142782216) is 5-fluoro-2H-pyrrole.
What is the SMILES notation for 5-fluoro-2H-pyrrole?
The canonical SMILES for 5-fluoro-2H-pyrrole is FC1=NCC=C1.
What is the InChIKey of 5-fluoro-2H-pyrrole?
The InChIKey is DWJFCZNSBQPSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN/c5-4-2-1-3-6-4/h1-2H,3H2.
What are the key properties of 5-fluoro-2H-pyrrole?
5-fluoro-2H-pyrrole has a molecular weight of 85.08 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2H-pyrrole is sourced from PubChem (CID 142782216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).