(2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid)

C11H11F9N2O8 — CID 163342398

IUPAC(2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F.[NH3+]C1CCC(=O)NC1=O
InChIInChI=1S/C5H8N2O2.3C2HF3O2/c6-3-1-2-4(8)7-5(3)9;3*3-2(4,5)1(6)7/h3H,1-2,6H2,(H,7,8,9);3*(H,6,7)
InChIKeyVHBVMOJKUDUOQC-UHFFFAOYSA-N
MW470.20 g/mol
LogP-1.40
Rot. Bonds

About (2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid)

(2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid) (PubChem CID 163342398) has the molecular formula C11H11F9N2O8 and a molecular weight of 470.20 g/mol. Its IUPAC name is (2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name(2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid)
PubChem CID163342398
Molecular FormulaC11H11F9N2O8
Molecular Weight470.20 g/mol
Exact Mass470.04
IUPAC Name(2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F.[NH3+]C1CCC(=O)NC1=O
InChIInChI=1S/C5H8N2O2.3C2HF3O2/c6-3-1-2-4(8)7-5(3)9;3*3-2(4,5)1(6)7/h3H,1-2,6H2,(H,7,8,9);3*(H,6,7)
InChIKeyVHBVMOJKUDUOQC-UHFFFAOYSA-N
XLogP-1.40
TPSA188.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.20
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of (2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid) (CID 163342398) is (2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for (2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for (2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F.[NH3+]C1CCC(=O)NC1=O.
What is the InChIKey of (2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is VHBVMOJKUDUOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2.3C2HF3O2/c6-3-1-2-4(8)7-5(3)9;3*3-2(4,5)1(6)7/h3H,1-2,6H2,(H,7,8,9);3*(H,6,7).
What are the key properties of (2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid)?
(2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 470.20 g/mol, XLogP of -1.40, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 163342398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).