(3-amino-2,6-dioxopiperidin-1-yl) 2,2,2-trifluoroacetate

C7H7F3N2O4 — CID 87349404

IUPAC(3-amino-2,6-dioxopiperidin-1-yl) 2,2,2-trifluoroacetate
SMILESNC1CCC(=O)N(OC(=O)C(F)(F)F)C1=O
InChIInChI=1S/C7H7F3N2O4/c8-7(9,10)6(15)16-12-4(13)2-1-3(11)5(12)14/h3H,1-2,11H2
InChIKeyFPWYWPKIOCJRIH-UHFFFAOYSA-N
MW240.14 g/mol
LogP-0.52
Rot. Bonds1

About (3-amino-2,6-dioxopiperidin-1-yl) 2,2,2-trifluoroacetate

(3-amino-2,6-dioxopiperidin-1-yl) 2,2,2-trifluoroacetate (PubChem CID 87349404) has the molecular formula C7H7F3N2O4 and a molecular weight of 240.14 g/mol. Its IUPAC name is (3-amino-2,6-dioxopiperidin-1-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(3-amino-2,6-dioxopiperidin-1-yl) 2,2,2-trifluoroacetate
PubChem CID87349404
Molecular FormulaC7H7F3N2O4
Molecular Weight240.14 g/mol
Exact Mass240.04
IUPAC Name(3-amino-2,6-dioxopiperidin-1-yl) 2,2,2-trifluoroacetate
SMILESNC1CCC(=O)N(OC(=O)C(F)(F)F)C1=O
InChIInChI=1S/C7H7F3N2O4/c8-7(9,10)6(15)16-12-4(13)2-1-3(11)5(12)14/h3H,1-2,11H2
InChIKeyFPWYWPKIOCJRIH-UHFFFAOYSA-N
XLogP-0.52
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
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 (3-amino-2,6-dioxopiperidin-1-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (3-amino-2,6-dioxopiperidin-1-yl) 2,2,2-trifluoroacetate (CID 87349404) is (3-amino-2,6-dioxopiperidin-1-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (3-amino-2,6-dioxopiperidin-1-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (3-amino-2,6-dioxopiperidin-1-yl) 2,2,2-trifluoroacetate is NC1CCC(=O)N(OC(=O)C(F)(F)F)C1=O.
What is the InChIKey of (3-amino-2,6-dioxopiperidin-1-yl) 2,2,2-trifluoroacetate?
The InChIKey is FPWYWPKIOCJRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O4/c8-7(9,10)6(15)16-12-4(13)2-1-3(11)5(12)14/h3H,1-2,11H2.
What are the key properties of (3-amino-2,6-dioxopiperidin-1-yl) 2,2,2-trifluoroacetate?
(3-amino-2,6-dioxopiperidin-1-yl) 2,2,2-trifluoroacetate has a molecular weight of 240.14 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,6-dioxopiperidin-1-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 87349404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).