5-[3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutanimidoyl]-2,3-dihydro-1H-inden-1-ol

C19H16Cl2F3NO2 — CID 143861684

About 5-[3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutanimidoyl]-2,3-dihydro-1H-inden-1-ol

5-[3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutanimidoyl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 143861684) has the molecular formula C19H16Cl2F3NO2 and a molecular weight of 418.24 g/mol. Its IUPAC name is 5-[3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutanimidoyl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

• Compound Name: 5-[3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutanimidoyl]-2,3-dihydro-1H-inden-1-ol
• PubChem CID: 143861684
• Molecular Formula: C19H16Cl2F3NO2
• Molecular Weight: 418.24 g/mol
• Exact Mass: 417.05
• IUPAC Name: 5-[3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutanimidoyl]-2,3-dihydro-1H-inden-1-ol
• SMILES: [H]/N=C(/CC(O)(c1cc(Cl)cc(Cl)c1)C(F)(F)F)c1ccc2c(c1)CCC2O
• InChI: InChI=1S/C19H16Cl2F3NO2/c20-13-6-12(7-14(21)8-13)18(27,19(22,23)24)9-16(25)11-1-3-15-10(5-11)2-4-17(15)26/h1,3,5-8,17,25-27H,2,4,9H2/b25-16-
• InChIKey: SWWXWVZYQGUJMS-XYGWBWBKSA-N
• XLogP: 5.18
• TPSA: 64.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.24
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutanimidoyl]-2,3-dihydro-1H-inden-1-ol?

The IUPAC name of 5-[3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutanimidoyl]-2,3-dihydro-1H-inden-1-ol (CID 143861684) is 5-[3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutanimidoyl]-2,3-dihydro-1H-inden-1-ol.

What is the SMILES notation for 5-[3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutanimidoyl]-2,3-dihydro-1H-inden-1-ol?

The canonical SMILES for 5-[3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutanimidoyl]-2,3-dihydro-1H-inden-1-ol is [H]/N=C(/CC(O)(c1cc(Cl)cc(Cl)c1)C(F)(F)F)c1ccc2c(c1)CCC2O.

What is the InChIKey of 5-[3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutanimidoyl]-2,3-dihydro-1H-inden-1-ol?

The InChIKey is SWWXWVZYQGUJMS-XYGWBWBKSA-N. The full InChI is InChI=1S/C19H16Cl2F3NO2/c20-13-6-12(7-14(21)8-13)18(27,19(22,23)24)9-16(25)11-1-3-15-10(5-11)2-4-17(15)26/h1,3,5-8,17,25-27H,2,4,9H2/b25-16-.

What are the key properties of 5-[3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutanimidoyl]-2,3-dihydro-1H-inden-1-ol?

5-[3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutanimidoyl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 418.24 g/mol, XLogP of 5.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutanimidoyl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 143861684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).