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

C5HF6NO2 — CID 12681002

IUPAC3,3,4,4,5,5-hexafluoropiperidine-2,6-dione
SMILESO=C1NC(=O)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5HF6NO2/c6-3(7)1(13)12-2(14)4(8,9)5(3,10)11/h(H,12,13,14)
InChIKeyNQPCJIWEFNUPGL-UHFFFAOYSA-N
MW221.06 g/mol
LogP0.55
Rot. Bonds

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

3,3,4,4,5,5-hexafluoropiperidine-2,6-dione (PubChem CID 12681002) has the molecular formula C5HF6NO2 and a molecular weight of 221.06 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoropiperidine-2,6-dione.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoropiperidine-2,6-dione
PubChem CID12681002
Molecular FormulaC5HF6NO2
Molecular Weight221.06 g/mol
Exact Mass220.99
IUPAC Name3,3,4,4,5,5-hexafluoropiperidine-2,6-dione
SMILESO=C1NC(=O)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5HF6NO2/c6-3(7)1(13)12-2(14)4(8,9)5(3,10)11/h(H,12,13,14)
InChIKeyNQPCJIWEFNUPGL-UHFFFAOYSA-N
XLogP0.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.06
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoropiperidine-2,6-dione?
The IUPAC name of 3,3,4,4,5,5-hexafluoropiperidine-2,6-dione (CID 12681002) is 3,3,4,4,5,5-hexafluoropiperidine-2,6-dione.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoropiperidine-2,6-dione?
The canonical SMILES for 3,3,4,4,5,5-hexafluoropiperidine-2,6-dione is O=C1NC(=O)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoropiperidine-2,6-dione?
The InChIKey is NQPCJIWEFNUPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF6NO2/c6-3(7)1(13)12-2(14)4(8,9)5(3,10)11/h(H,12,13,14).
What are the key properties of 3,3,4,4,5,5-hexafluoropiperidine-2,6-dione?
3,3,4,4,5,5-hexafluoropiperidine-2,6-dione has a molecular weight of 221.06 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoropiperidine-2,6-dione is sourced from PubChem (CID 12681002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).