3-(4-fluorophenyl)-1-methanidylpyrrolidin-1-ium

C11H14FN — CID 140732881

IUPAC3-(4-fluorophenyl)-1-methanidylpyrrolidin-1-ium
SMILES[CH2-][NH+]1CCC(c2ccc(F)cc2)C1
InChIInChI=1S/C11H14FN/c1-13-7-6-10(8-13)9-2-4-11(12)5-3-9/h2-5,10,13H,1,6-8H2
InChIKeyJJPBLZMQLYGFDB-UHFFFAOYSA-N
MW179.24 g/mol
LogP0.99
Rot. Bonds1

About 3-(4-fluorophenyl)-1-methanidylpyrrolidin-1-ium

3-(4-fluorophenyl)-1-methanidylpyrrolidin-1-ium (PubChem CID 140732881) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methanidylpyrrolidin-1-ium.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methanidylpyrrolidin-1-ium
PubChem CID140732881
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name3-(4-fluorophenyl)-1-methanidylpyrrolidin-1-ium
SMILES[CH2-][NH+]1CCC(c2ccc(F)cc2)C1
InChIInChI=1S/C11H14FN/c1-13-7-6-10(8-13)9-2-4-11(12)5-3-9/h2-5,10,13H,1,6-8H2
InChIKeyJJPBLZMQLYGFDB-UHFFFAOYSA-N
XLogP0.99
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-(4-fluorophenyl)-1-methanidylpyrrolidin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
4-(4-fluorophenyl)-1-methylazepan-1-ium
CID 144635910
1-fluoro-4-(4-fluorocyclohexyl)benzene
CID 23539867
3-(4-fluorophenyl)azetidine
CID 55250938
1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine
CID 79979256
3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane
CID 22012229
ethane;4-(4-fluorophenyl)piperidine
CID 144692128
2-[2-[3-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]ethyl]-1,4-dimethylpiperazin-4-ium
CID 140706774
N-[3-(4-fluorophenyl)cyclobutyl]cyclopentanamine
CID 43632694
1-(3-chlorocyclopentyl)-4-fluorobenzene
CID 64515664
trans-(1R,3R)-3-(4-fluorophenyl)cyclopentan-1-amine
CID 94827218
CID 22404112
CID 22404112

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methanidylpyrrolidin-1-ium?
The IUPAC name of 3-(4-fluorophenyl)-1-methanidylpyrrolidin-1-ium (CID 140732881) is 3-(4-fluorophenyl)-1-methanidylpyrrolidin-1-ium.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methanidylpyrrolidin-1-ium?
The canonical SMILES for 3-(4-fluorophenyl)-1-methanidylpyrrolidin-1-ium is [CH2-][NH+]1CCC(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-1-methanidylpyrrolidin-1-ium?
The InChIKey is JJPBLZMQLYGFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-13-7-6-10(8-13)9-2-4-11(12)5-3-9/h2-5,10,13H,1,6-8H2.
What are the key properties of 3-(4-fluorophenyl)-1-methanidylpyrrolidin-1-ium?
3-(4-fluorophenyl)-1-methanidylpyrrolidin-1-ium has a molecular weight of 179.24 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methanidylpyrrolidin-1-ium is sourced from PubChem (CID 140732881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).