(1,3-dioxo-5H-benzo[de]isoquinolin-5-id-2-yl) trifluoromethanesulfonate;ethoxyethane;uranium(2+)

C17H14F3NO6SU — CID 162573766

About (1,3-dioxo-5H-benzo[de]isoquinolin-5-id-2-yl) trifluoromethanesulfonate;ethoxyethane;uranium(2+)

(1,3-dioxo-5H-benzo[de]isoquinolin-5-id-2-yl) trifluoromethanesulfonate;ethoxyethane;uranium(2+) (PubChem CID 162573766) has the molecular formula C17H14F3NO6SU and a molecular weight of 655.39 g/mol. Its IUPAC name is (1,3-dioxo-5H-benzo[de]isoquinolin-5-id-2-yl) trifluoromethanesulfonate;ethoxyethane;uranium(2+).

Molecular Properties

• Compound Name: (1,3-dioxo-5H-benzo[de]isoquinolin-5-id-2-yl) trifluoromethanesulfonate;ethoxyethane;uranium(2+)
• PubChem CID: 162573766
• Molecular Formula: C17H14F3NO6SU
• Molecular Weight: 655.39 g/mol
• Exact Mass: 655.10
• IUPAC Name: (1,3-dioxo-5H-benzo[de]isoquinolin-5-id-2-yl) trifluoromethanesulfonate;ethoxyethane;uranium(2+)
• SMILES: O=C1c2c[c-]cc3cccc(c23)C(=O)N1OS(=O)(=O)C(F)(F)F.[CH2-]COCC.[U+2]
• InChI: InChI=1S/C13H5F3NO5S.C4H9O.U/c14-13(15,16)23(20,21)22-17-11(18)8-5-1-3-7-4-2-6-9(10(7)8)12(17)19;1-3-5-4-2;/h1,3-6H;1,3-4H2,2H3;/q2*-1;+2
• InChIKey: YJOOUIIBMLOUKK-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 89.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	655.39
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxo-5H-benzo[de]isoquinolin-5-id-2-yl) trifluoromethanesulfonate;ethoxyethane;uranium(2+)?

The IUPAC name of (1,3-dioxo-5H-benzo[de]isoquinolin-5-id-2-yl) trifluoromethanesulfonate;ethoxyethane;uranium(2+) (CID 162573766) is (1,3-dioxo-5H-benzo[de]isoquinolin-5-id-2-yl) trifluoromethanesulfonate;ethoxyethane;uranium(2+).

What is the SMILES notation for (1,3-dioxo-5H-benzo[de]isoquinolin-5-id-2-yl) trifluoromethanesulfonate;ethoxyethane;uranium(2+)?

The canonical SMILES for (1,3-dioxo-5H-benzo[de]isoquinolin-5-id-2-yl) trifluoromethanesulfonate;ethoxyethane;uranium(2+) is O=C1c2c[c-]cc3cccc(c23)C(=O)N1OS(=O)(=O)C(F)(F)F.[CH2-]COCC.[U+2].

What is the InChIKey of (1,3-dioxo-5H-benzo[de]isoquinolin-5-id-2-yl) trifluoromethanesulfonate;ethoxyethane;uranium(2+)?

The InChIKey is YJOOUIIBMLOUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5F3NO5S.C4H9O.U/c14-13(15,16)23(20,21)22-17-11(18)8-5-1-3-7-4-2-6-9(10(7)8)12(17)19;1-3-5-4-2;/h1,3-6H;1,3-4H2,2H3;/q2*-1;+2.

What are the key properties of (1,3-dioxo-5H-benzo[de]isoquinolin-5-id-2-yl) trifluoromethanesulfonate;ethoxyethane;uranium(2+)?

(1,3-dioxo-5H-benzo[de]isoquinolin-5-id-2-yl) trifluoromethanesulfonate;ethoxyethane;uranium(2+) has a molecular weight of 655.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1,3-dioxo-5H-benzo[de]isoquinolin-5-id-2-yl) trifluoromethanesulfonate;ethoxyethane;uranium(2+) is sourced from PubChem (CID 162573766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).