1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid

C15H15F3N2O4 — CID 175516461

IUPAC1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CCCC(=O)N1N1Cc2ccccc2C1
InChIInChI=1S/C13H14N2O2.C2HF3O2/c16-12-6-3-7-13(17)15(12)14-8-10-4-1-2-5-11(10)9-14;3-2(4,5)1(6)7/h1-2,4-5H,3,6-9H2;(H,6,7)
InChIKeyOWSSRUJPNQJWMS-UHFFFAOYSA-N
MW344.29 g/mol
LogP2.09
Rot. Bonds1

About 1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid

1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid (PubChem CID 175516461) has the molecular formula C15H15F3N2O4 and a molecular weight of 344.29 g/mol. Its IUPAC name is 1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid
PubChem CID175516461
Molecular FormulaC15H15F3N2O4
Molecular Weight344.29 g/mol
Exact Mass344.10
IUPAC Name1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CCCC(=O)N1N1Cc2ccccc2C1
InChIInChI=1S/C13H14N2O2.C2HF3O2/c16-12-6-3-7-13(17)15(12)14-8-10-4-1-2-5-11(10)9-14;3-2(4,5)1(6)7/h1-2,4-5H,3,6-9H2;(H,6,7)
InChIKeyOWSSRUJPNQJWMS-UHFFFAOYSA-N
XLogP2.09
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid (CID 175516461) is 1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1CCCC(=O)N1N1Cc2ccccc2C1.
What is the InChIKey of 1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid?
The InChIKey is OWSSRUJPNQJWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2.C2HF3O2/c16-12-6-3-7-13(17)15(12)14-8-10-4-1-2-5-11(10)9-14;3-2(4,5)1(6)7/h1-2,4-5H,3,6-9H2;(H,6,7).
What are the key properties of 1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid?
1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid has a molecular weight of 344.29 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175516461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).