3,3-difluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate

C10H13F2NO3 — CID 139567538

IUPAC3,3-difluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate
SMILESO=C(OCC=C(F)F)C(=O)N1CCCCC1
InChIInChI=1S/C10H13F2NO3/c11-8(12)4-7-16-10(15)9(14)13-5-2-1-3-6-13/h4H,1-3,5-7H2
InChIKeyXSWMVALLMWOZBM-UHFFFAOYSA-N
MW233.21 g/mol
LogP1.32
Rot. Bonds2

About 3,3-difluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate

3,3-difluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate (PubChem CID 139567538) has the molecular formula C10H13F2NO3 and a molecular weight of 233.21 g/mol. Its IUPAC name is 3,3-difluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate.

Molecular Properties

Compound Name3,3-difluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate
PubChem CID139567538
Molecular FormulaC10H13F2NO3
Molecular Weight233.21 g/mol
Exact Mass233.09
IUPAC Name3,3-difluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate
SMILESO=C(OCC=C(F)F)C(=O)N1CCCCC1
InChIInChI=1S/C10H13F2NO3/c11-8(12)4-7-16-10(15)9(14)13-5-2-1-3-6-13/h4H,1-3,5-7H2
InChIKeyXSWMVALLMWOZBM-UHFFFAOYSA-N
XLogP1.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate?
The IUPAC name of 3,3-difluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate (CID 139567538) is 3,3-difluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate.
What is the SMILES notation for 3,3-difluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate?
The canonical SMILES for 3,3-difluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate is O=C(OCC=C(F)F)C(=O)N1CCCCC1.
What is the InChIKey of 3,3-difluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate?
The InChIKey is XSWMVALLMWOZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3/c11-8(12)4-7-16-10(15)9(14)13-5-2-1-3-6-13/h4H,1-3,5-7H2.
What are the key properties of 3,3-difluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate?
3,3-difluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate has a molecular weight of 233.21 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate is sourced from PubChem (CID 139567538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).