(2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine

C11H14FN — CID 82409458

IUPAC(2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine
SMILESC[C@H]1CCN[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C11H14FN/c1-8-6-7-13-11(8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m0/s1
InChIKeyQGZKNOIZEORCFG-KWQFWETISA-N
MW179.24 g/mol
LogP2.50
Rot. Bonds1

About (2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine

(2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine (PubChem CID 82409458) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name(2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine
PubChem CID82409458
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine
SMILESC[C@H]1CCN[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C11H14FN/c1-8-6-7-13-11(8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m0/s1
InChIKeyQGZKNOIZEORCFG-KWQFWETISA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine 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

2-(4-cyclopropylphenyl)-3-methylpyrrolidine
CID 79977348
3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 3540131
2-(3-fluorophenyl)-3-methylpyrrolidine
CID 3582862
ethane;3-methyl-2-phenylpyrrolidine
CID 162762531
2-(4-fluorophenyl)-3-methylazetidine
CID 66350538
2-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine
CID 64687702
2-(4-fluorophenyl)-3-(methoxymethyl)pyrrolidine
CID 105463019
(3R)-3-methyl-2-phenylpiperidine
CID 155222992
2-(4-fluorophenyl)azetidine;hydrochloride
CID 155891542
3-methyl-2-(4-phenylphenyl)piperidine
CID 65455510
3-fluoro-2-(4-fluorophenyl)piperidine;hydrochloride
CID 115039873
2-(4-fluorophenyl)-3-methylaziridine
CID 71437972

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine?
The IUPAC name of (2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine (CID 82409458) is (2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine.
What is the SMILES notation for (2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine?
The canonical SMILES for (2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine is C[C@H]1CCN[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine?
The InChIKey is QGZKNOIZEORCFG-KWQFWETISA-N. The full InChI is InChI=1S/C11H14FN/c1-8-6-7-13-11(8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m0/s1.
What are the key properties of (2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine?
(2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine has a molecular weight of 179.24 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine is sourced from PubChem (CID 82409458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).