5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole

C₁₁H₈Cl₂F₃N — CID 151141890

About 5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole

5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole (PubChem CID 151141890) has the molecular formula C₁₁H₈Cl₂F₃N and a molecular weight of 282.09 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

• Compound Name: 5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
• PubChem CID: 151141890
• Molecular Formula: C₁₁H₈Cl₂F₃N
• Molecular Weight: 282.09 g/mol
• Exact Mass: 281.00
• IUPAC Name: 5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
• SMILES: FC(F)(F)C1CCN=C1c1cc(Cl)cc(Cl)c1
• InChI: InChI=1S/C11H8Cl2F3N/c12-7-3-6(4-8(13)5-7)10-9(1-2-17-10)11(14,15)16/h3-5,9H,1-2H2
• InChIKey: MWJKTPYMPLHYCQ-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.09
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole?

The IUPAC name of 5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole (CID 151141890) is 5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole.

What is the SMILES notation for 5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole?

The canonical SMILES for 5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole is FC(F)(F)C1CCN=C1c1cc(Cl)cc(Cl)c1.

What is the InChIKey of 5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole?

The InChIKey is MWJKTPYMPLHYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3N/c12-7-3-6(4-8(13)5-7)10-9(1-2-17-10)11(14,15)16/h3-5,9H,1-2H2.

What are the key properties of 5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole?

5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 282.09 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 151141890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151141890 — identifiers, structure, computed properties (public domain)

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