3-(fluoromethyl)-1H-pyrrole

C5H6FN — CID 55286658

IUPAC3-(fluoromethyl)-1H-pyrrole
SMILESFCc1cc[nH]c1
InChIInChI=1S/C5H6FN/c6-3-5-1-2-7-4-5/h1-2,4,7H,3H2
InChIKeyXGDZIJZJTBJITG-UHFFFAOYSA-N
MW99.11 g/mol
LogP1.48
Rot. Bonds1

About 3-(fluoromethyl)-1H-pyrrole

3-(fluoromethyl)-1H-pyrrole (PubChem CID 55286658) has the molecular formula C5H6FN and a molecular weight of 99.11 g/mol. Its IUPAC name is 3-(fluoromethyl)-1H-pyrrole.

Molecular Properties

Compound Name3-(fluoromethyl)-1H-pyrrole
PubChem CID55286658
Molecular FormulaC5H6FN
Molecular Weight99.11 g/mol
Exact Mass99.05
IUPAC Name3-(fluoromethyl)-1H-pyrrole
SMILESFCc1cc[nH]c1
InChIInChI=1S/C5H6FN/c6-3-5-1-2-7-4-5/h1-2,4,7H,3H2
InChIKeyXGDZIJZJTBJITG-UHFFFAOYSA-N
XLogP1.48
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.11
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 3-(fluoromethyl)-1H-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 3-(fluoromethyl)-1H-pyrrole?
The IUPAC name of 3-(fluoromethyl)-1H-pyrrole (CID 55286658) is 3-(fluoromethyl)-1H-pyrrole.
What is the SMILES notation for 3-(fluoromethyl)-1H-pyrrole?
The canonical SMILES for 3-(fluoromethyl)-1H-pyrrole is FCc1cc[nH]c1.
What is the InChIKey of 3-(fluoromethyl)-1H-pyrrole?
The InChIKey is XGDZIJZJTBJITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN/c6-3-5-1-2-7-4-5/h1-2,4,7H,3H2.
What are the key properties of 3-(fluoromethyl)-1H-pyrrole?
3-(fluoromethyl)-1H-pyrrole has a molecular weight of 99.11 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1H-pyrrole is sourced from PubChem (CID 55286658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).