3-fluoro-2,5-dihydro-1H-pyrrole;hydrochloride

C4H7ClFN — CID 138987644

IUPAC3-fluoro-2,5-dihydro-1H-pyrrole;hydrochloride
SMILESCl.FC1=CCNC1
InChIInChI=1S/C4H6FN.ClH/c5-4-1-2-6-3-4;/h1,6H,2-3H2;1H
InChIKeyNJERCVXDNLJPAR-UHFFFAOYSA-N
MW123.56 g/mol
LogP0.86
Rot. Bonds

About 3-fluoro-2,5-dihydro-1H-pyrrole;hydrochloride

3-fluoro-2,5-dihydro-1H-pyrrole;hydrochloride (PubChem CID 138987644) has the molecular formula C4H7ClFN and a molecular weight of 123.56 g/mol. Its IUPAC name is 3-fluoro-2,5-dihydro-1H-pyrrole;hydrochloride.

Molecular Properties

Compound Name3-fluoro-2,5-dihydro-1H-pyrrole;hydrochloride
PubChem CID138987644
Molecular FormulaC4H7ClFN
Molecular Weight123.56 g/mol
Exact Mass123.03
IUPAC Name3-fluoro-2,5-dihydro-1H-pyrrole;hydrochloride
SMILESCl.FC1=CCNC1
InChIInChI=1S/C4H6FN.ClH/c5-4-1-2-6-3-4;/h1,6H,2-3H2;1H
InChIKeyNJERCVXDNLJPAR-UHFFFAOYSA-N
XLogP0.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.56
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-2,5-dihydro-1H-pyrrole;hydrochloride 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-fluoro-2,5-dihydro-1H-pyrrole;hydrochloride?
The IUPAC name of 3-fluoro-2,5-dihydro-1H-pyrrole;hydrochloride (CID 138987644) is 3-fluoro-2,5-dihydro-1H-pyrrole;hydrochloride.
What is the SMILES notation for 3-fluoro-2,5-dihydro-1H-pyrrole;hydrochloride?
The canonical SMILES for 3-fluoro-2,5-dihydro-1H-pyrrole;hydrochloride is Cl.FC1=CCNC1.
What is the InChIKey of 3-fluoro-2,5-dihydro-1H-pyrrole;hydrochloride?
The InChIKey is NJERCVXDNLJPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN.ClH/c5-4-1-2-6-3-4;/h1,6H,2-3H2;1H.
What are the key properties of 3-fluoro-2,5-dihydro-1H-pyrrole;hydrochloride?
3-fluoro-2,5-dihydro-1H-pyrrole;hydrochloride has a molecular weight of 123.56 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,5-dihydro-1H-pyrrole;hydrochloride is sourced from PubChem (CID 138987644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).