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

C9H10F6N2O6 — CID 155981958

IUPAC(2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C([O-])C(F)(F)F.[NH3+]C1CCC(=O)NC1=O
InChIInChI=1S/C5H8N2O2.2C2HF3O2/c6-3-1-2-4(8)7-5(3)9;2*3-2(4,5)1(6)7/h3H,1-2,6H2,(H,7,8,9);2*(H,6,7)
InChIKeyRMJFQBQKXWRPPK-UHFFFAOYSA-N
MW356.18 g/mol
LogP-2.03
Rot. Bonds

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

(2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid (PubChem CID 155981958) has the molecular formula C9H10F6N2O6 and a molecular weight of 356.18 g/mol. Its IUPAC name is (2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
PubChem CID155981958
Molecular FormulaC9H10F6N2O6
Molecular Weight356.18 g/mol
Exact Mass356.04
IUPAC Name(2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C([O-])C(F)(F)F.[NH3+]C1CCC(=O)NC1=O
InChIInChI=1S/C5H8N2O2.2C2HF3O2/c6-3-1-2-4(8)7-5(3)9;2*3-2(4,5)1(6)7/h3H,1-2,6H2,(H,7,8,9);2*(H,6,7)
InChIKeyRMJFQBQKXWRPPK-UHFFFAOYSA-N
XLogP-2.03
TPSA151.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.18
LogP ≤ 5-2.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid?
The IUPAC name of (2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid (CID 155981958) is (2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid is 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;2,2,2-trifluoroacetic acid?
The InChIKey is RMJFQBQKXWRPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2.2C2HF3O2/c6-3-1-2-4(8)7-5(3)9;2*3-2(4,5)1(6)7/h3H,1-2,6H2,(H,7,8,9);2*(H,6,7).
What are the key properties of (2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid?
(2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid has a molecular weight of 356.18 g/mol, XLogP of -2.03, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155981958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).