2-fluoro-3H-pyrrole

C4H4FN — CID 159036893

IUPAC2-fluoro-3H-pyrrole
SMILESFC1=NC=CC1
InChIInChI=1S/C4H4FN/c5-4-2-1-3-6-4/h1,3H,2H2
InChIKeyKBBLJPLZAAGWMI-UHFFFAOYSA-N
MW85.08 g/mol
LogP1.27
Rot. Bonds

About 2-fluoro-3H-pyrrole

2-fluoro-3H-pyrrole (PubChem CID 159036893) has the molecular formula C4H4FN and a molecular weight of 85.08 g/mol. Its IUPAC name is 2-fluoro-3H-pyrrole.

Molecular Properties

Compound Name2-fluoro-3H-pyrrole
PubChem CID159036893
Molecular FormulaC4H4FN
Molecular Weight85.08 g/mol
Exact Mass85.03
IUPAC Name2-fluoro-3H-pyrrole
SMILESFC1=NC=CC1
InChIInChI=1S/C4H4FN/c5-4-2-1-3-6-4/h1,3H,2H2
InChIKeyKBBLJPLZAAGWMI-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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3H-pyrrole?
The IUPAC name of 2-fluoro-3H-pyrrole (CID 159036893) is 2-fluoro-3H-pyrrole.
What is the SMILES notation for 2-fluoro-3H-pyrrole?
The canonical SMILES for 2-fluoro-3H-pyrrole is FC1=NC=CC1.
What is the InChIKey of 2-fluoro-3H-pyrrole?
The InChIKey is KBBLJPLZAAGWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN/c5-4-2-1-3-6-4/h1,3H,2H2.
What are the key properties of 2-fluoro-3H-pyrrole?
2-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 2-fluoro-3H-pyrrole is sourced from PubChem (CID 159036893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).