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

C₁₁H₁₁ClFN — CID 146634232

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

(2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole (PubChem CID 146634232) has the molecular formula C₁₁H₁₁ClFN and a molecular weight of 211.67 g/mol. Its IUPAC name is (2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

• Compound Name: (2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole
• PubChem CID: 146634232
• Molecular Formula: C₁₁H₁₁ClFN
• Molecular Weight: 211.67 g/mol
• Exact Mass: 211.06
• IUPAC Name: (2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole
• SMILES: C[C@H]1CCC(c2ccc(F)c(Cl)c2)=N1
• InChI: InChI=1S/C11H11ClFN/c1-7-2-5-11(14-7)8-3-4-10(13)9(12)6-8/h3-4,6-7H,2,5H2,1H3/t7-/m0/s1
• InChIKey: MGFBNWXXZCUASJ-ZETCQYMHSA-N
• XLogP: 3.45
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	211.67
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole?

The IUPAC name of (2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole (CID 146634232) is (2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole.

What is the SMILES notation for (2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole?

The canonical SMILES for (2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole is C[C@H]1CCC(c2ccc(F)c(Cl)c2)=N1.

What is the InChIKey of (2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole?

The InChIKey is MGFBNWXXZCUASJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11ClFN/c1-7-2-5-11(14-7)8-3-4-10(13)9(12)6-8/h3-4,6-7H,2,5H2,1H3/t7-/m0/s1.

What are the key properties of (2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole?

(2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole has a molecular weight of 211.67 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 146634232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146634232 — identifiers, structure, computed properties (public domain)

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