(2S)-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole

C11H12FN — CID 135081127

IUPAC(2S)-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole
SMILESC[C@H]1CCC(c2ccc(F)cc2)=N1
InChIInChI=1S/C11H12FN/c1-8-2-7-11(13-8)9-3-5-10(12)6-4-9/h3-6,8H,2,7H2,1H3/t8-/m0/s1
InChIKeyXHWLGVSCNFGESB-QMMMGPOBSA-N
MW177.22 g/mol
LogP2.80
Rot. Bonds1

About (2S)-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole

(2S)-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole (PubChem CID 135081127) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is (2S)-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name(2S)-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole
PubChem CID135081127
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name(2S)-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole
SMILESC[C@H]1CCC(c2ccc(F)cc2)=N1
InChIInChI=1S/C11H12FN/c1-8-2-7-11(13-8)9-3-5-10(12)6-4-9/h3-6,8H,2,7H2,1H3/t8-/m0/s1
InChIKeyXHWLGVSCNFGESB-QMMMGPOBSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S)-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole 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 (2S)-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of (2S)-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole (CID 135081127) is (2S)-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for (2S)-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for (2S)-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole is C[C@H]1CCC(c2ccc(F)cc2)=N1.
What is the InChIKey of (2S)-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole?
The InChIKey is XHWLGVSCNFGESB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12FN/c1-8-2-7-11(13-8)9-3-5-10(12)6-4-9/h3-6,8H,2,7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole?
(2S)-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole has a molecular weight of 177.22 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 135081127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).