2-(3-amino-2,2-difluoropropyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C12H18F2N2O2 — CID 114513284

About 2-(3-amino-2,2-difluoropropyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-(3-amino-2,2-difluoropropyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 114513284) has the molecular formula C12H18F2N2O2 and a molecular weight of 260.28 g/mol. Its IUPAC name is 2-(3-amino-2,2-difluoropropyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

• Compound Name: 2-(3-amino-2,2-difluoropropyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
• PubChem CID: 114513284
• Molecular Formula: C12H18F2N2O2
• Molecular Weight: 260.28 g/mol
• Exact Mass: 260.13
• IUPAC Name: 2-(3-amino-2,2-difluoropropyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
• SMILES: CCC1CC2C(=O)N(CC(F)(F)CN)C(=O)C2C1
• InChI: InChI=1S/C12H18F2N2O2/c1-2-7-3-8-9(4-7)11(18)16(10(8)17)6-12(13,14)5-15/h7-9H,2-6,15H2,1H3
• InChIKey: IDXSQISKIZTRCX-UHFFFAOYSA-N
• XLogP: 1.00
• TPSA: 63.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	260.28
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2,2-difluoropropyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?

The IUPAC name of 2-(3-amino-2,2-difluoropropyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 114513284) is 2-(3-amino-2,2-difluoropropyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

What is the SMILES notation for 2-(3-amino-2,2-difluoropropyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?

The canonical SMILES for 2-(3-amino-2,2-difluoropropyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CCC1CC2C(=O)N(CC(F)(F)CN)C(=O)C2C1.

What is the InChIKey of 2-(3-amino-2,2-difluoropropyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?

The InChIKey is IDXSQISKIZTRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2/c1-2-7-3-8-9(4-7)11(18)16(10(8)17)6-12(13,14)5-15/h7-9H,2-6,15H2,1H3.

What are the key properties of 2-(3-amino-2,2-difluoropropyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?

2-(3-amino-2,2-difluoropropyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 260.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-amino-2,2-difluoropropyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 114513284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).