2-(fluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride

C5H9ClFN — CID 155821458

IUPAC2-(fluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride
SMILESCl.FCC1C=CCN1
InChIInChI=1S/C5H8FN.ClH/c6-4-5-2-1-3-7-5;/h1-2,5,7H,3-4H2;1H
InChIKeyCQVRQNXFDSNQMG-UHFFFAOYSA-N
MW137.58 g/mol
LogP0.91
Rot. Bonds1

About 2-(fluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride

2-(fluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride (PubChem CID 155821458) has the molecular formula C5H9ClFN and a molecular weight of 137.58 g/mol. Its IUPAC name is 2-(fluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride.

Molecular Properties

Compound Name2-(fluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride
PubChem CID155821458
Molecular FormulaC5H9ClFN
Molecular Weight137.58 g/mol
Exact Mass137.04
IUPAC Name2-(fluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride
SMILESCl.FCC1C=CCN1
InChIInChI=1S/C5H8FN.ClH/c6-4-5-2-1-3-7-5;/h1-2,5,7H,3-4H2;1H
InChIKeyCQVRQNXFDSNQMG-UHFFFAOYSA-N
XLogP0.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.58
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride?
The IUPAC name of 2-(fluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride (CID 155821458) is 2-(fluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride.
What is the SMILES notation for 2-(fluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride?
The canonical SMILES for 2-(fluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride is Cl.FCC1C=CCN1.
What is the InChIKey of 2-(fluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride?
The InChIKey is CQVRQNXFDSNQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN.ClH/c6-4-5-2-1-3-7-5;/h1-2,5,7H,3-4H2;1H.
What are the key properties of 2-(fluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride?
2-(fluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride has a molecular weight of 137.58 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride is sourced from PubChem (CID 155821458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).