2-(fluoromethyl)-1H-pyrrole

C5H6FN — CID 22747517

IUPAC2-(fluoromethyl)-1H-pyrrole
SMILESFCc1ccc[nH]1
InChIInChI=1S/C5H6FN/c6-4-5-2-1-3-7-5/h1-3,7H,4H2
InChIKeyBZPIQEVKMMWEBH-UHFFFAOYSA-N
MW99.11 g/mol
LogP1.48
Rot. Bonds1

About 2-(fluoromethyl)-1H-pyrrole

2-(fluoromethyl)-1H-pyrrole (PubChem CID 22747517) has the molecular formula C5H6FN and a molecular weight of 99.11 g/mol. Its IUPAC name is 2-(fluoromethyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(fluoromethyl)-1H-pyrrole
PubChem CID22747517
Molecular FormulaC5H6FN
Molecular Weight99.11 g/mol
Exact Mass99.05
IUPAC Name2-(fluoromethyl)-1H-pyrrole
SMILESFCc1ccc[nH]1
InChIInChI=1S/C5H6FN/c6-4-5-2-1-3-7-5/h1-3,7H,4H2
InChIKeyBZPIQEVKMMWEBH-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

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1H-pyrrole?
The IUPAC name of 2-(fluoromethyl)-1H-pyrrole (CID 22747517) is 2-(fluoromethyl)-1H-pyrrole.
What is the SMILES notation for 2-(fluoromethyl)-1H-pyrrole?
The canonical SMILES for 2-(fluoromethyl)-1H-pyrrole is FCc1ccc[nH]1.
What is the InChIKey of 2-(fluoromethyl)-1H-pyrrole?
The InChIKey is BZPIQEVKMMWEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN/c6-4-5-2-1-3-7-5/h1-3,7H,4H2.
What are the key properties of 2-(fluoromethyl)-1H-pyrrole?
2-(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 2-(fluoromethyl)-1H-pyrrole is sourced from PubChem (CID 22747517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).