piperidine-2,6-dione;2,2,2-trifluoroacetic acid

C7H8F3NO4 — CID 172831688

IUPACpiperidine-2,6-dione;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CCCC(=O)N1
InChIInChI=1S/C5H7NO2.C2HF3O2/c7-4-2-1-3-5(8)6-4;3-2(4,5)1(6)7/h1-3H2,(H,6,7,8);(H,6,7)
InChIKeyVPDRIAVLMYUZDZ-UHFFFAOYSA-N
MW227.14 g/mol
LogP0.45
Rot. Bonds

About piperidine-2,6-dione;2,2,2-trifluoroacetic acid

piperidine-2,6-dione;2,2,2-trifluoroacetic acid (PubChem CID 172831688) has the molecular formula C7H8F3NO4 and a molecular weight of 227.14 g/mol. Its IUPAC name is piperidine-2,6-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepiperidine-2,6-dione;2,2,2-trifluoroacetic acid
PubChem CID172831688
Molecular FormulaC7H8F3NO4
Molecular Weight227.14 g/mol
Exact Mass227.04
IUPAC Namepiperidine-2,6-dione;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CCCC(=O)N1
InChIInChI=1S/C5H7NO2.C2HF3O2/c7-4-2-1-3-5(8)6-4;3-2(4,5)1(6)7/h1-3H2,(H,6,7,8);(H,6,7)
InChIKeyVPDRIAVLMYUZDZ-UHFFFAOYSA-N
XLogP0.45
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of piperidine-2,6-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of piperidine-2,6-dione;2,2,2-trifluoroacetic acid (CID 172831688) is piperidine-2,6-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for piperidine-2,6-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for piperidine-2,6-dione;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1CCCC(=O)N1.
What is the InChIKey of piperidine-2,6-dione;2,2,2-trifluoroacetic acid?
The InChIKey is VPDRIAVLMYUZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2.C2HF3O2/c7-4-2-1-3-5(8)6-4;3-2(4,5)1(6)7/h1-3H2,(H,6,7,8);(H,6,7).
What are the key properties of piperidine-2,6-dione;2,2,2-trifluoroacetic acid?
piperidine-2,6-dione;2,2,2-trifluoroacetic acid has a molecular weight of 227.14 g/mol, XLogP of 0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-2,6-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172831688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).