2,5,6-trifluoropiperidine-3,4-dione

C5H4F3NO2 — CID 91331775

IUPAC2,5,6-trifluoropiperidine-3,4-dione
SMILESO=C1C(=O)C(F)C(F)NC1F
InChIInChI=1S/C5H4F3NO2/c6-1-2(10)3(11)5(8)9-4(1)7/h1,4-5,9H
InChIKeyRYIAIXVUAJGUPK-UHFFFAOYSA-N
MW167.09 g/mol
LogP-0.34
Rot. Bonds

About 2,5,6-trifluoropiperidine-3,4-dione

2,5,6-trifluoropiperidine-3,4-dione (PubChem CID 91331775) has the molecular formula C5H4F3NO2 and a molecular weight of 167.09 g/mol. Its IUPAC name is 2,5,6-trifluoropiperidine-3,4-dione.

Molecular Properties

Compound Name2,5,6-trifluoropiperidine-3,4-dione
PubChem CID91331775
Molecular FormulaC5H4F3NO2
Molecular Weight167.09 g/mol
Exact Mass167.02
IUPAC Name2,5,6-trifluoropiperidine-3,4-dione
SMILESO=C1C(=O)C(F)C(F)NC1F
InChIInChI=1S/C5H4F3NO2/c6-1-2(10)3(11)5(8)9-4(1)7/h1,4-5,9H
InChIKeyRYIAIXVUAJGUPK-UHFFFAOYSA-N
XLogP-0.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.09
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trifluoropiperidine-3,4-dione?
The IUPAC name of 2,5,6-trifluoropiperidine-3,4-dione (CID 91331775) is 2,5,6-trifluoropiperidine-3,4-dione.
What is the SMILES notation for 2,5,6-trifluoropiperidine-3,4-dione?
The canonical SMILES for 2,5,6-trifluoropiperidine-3,4-dione is O=C1C(=O)C(F)C(F)NC1F.
What is the InChIKey of 2,5,6-trifluoropiperidine-3,4-dione?
The InChIKey is RYIAIXVUAJGUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO2/c6-1-2(10)3(11)5(8)9-4(1)7/h1,4-5,9H.
What are the key properties of 2,5,6-trifluoropiperidine-3,4-dione?
2,5,6-trifluoropiperidine-3,4-dione has a molecular weight of 167.09 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trifluoropiperidine-3,4-dione is sourced from PubChem (CID 91331775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).