2-oxo-2-piperidin-4-ylacetyl fluoride

C7H10FNO2 — CID 145256764

IUPAC2-oxo-2-piperidin-4-ylacetyl fluoride
SMILESO=C(F)C(=O)C1CCNCC1
InChIInChI=1S/C7H10FNO2/c8-7(11)6(10)5-1-3-9-4-2-5/h5,9H,1-4H2
InChIKeyUBAXJLSLSKWZAL-UHFFFAOYSA-N
MW159.16 g/mol
LogP0.05
Rot. Bonds2

About 2-oxo-2-piperidin-4-ylacetyl fluoride

2-oxo-2-piperidin-4-ylacetyl fluoride (PubChem CID 145256764) has the molecular formula C7H10FNO2 and a molecular weight of 159.16 g/mol. Its IUPAC name is 2-oxo-2-piperidin-4-ylacetyl fluoride.

Molecular Properties

Compound Name2-oxo-2-piperidin-4-ylacetyl fluoride
PubChem CID145256764
Molecular FormulaC7H10FNO2
Molecular Weight159.16 g/mol
Exact Mass159.07
IUPAC Name2-oxo-2-piperidin-4-ylacetyl fluoride
SMILESO=C(F)C(=O)C1CCNCC1
InChIInChI=1S/C7H10FNO2/c8-7(11)6(10)5-1-3-9-4-2-5/h5,9H,1-4H2
InChIKeyUBAXJLSLSKWZAL-UHFFFAOYSA-N
XLogP0.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-piperidin-4-ylacetyl fluoride?
The IUPAC name of 2-oxo-2-piperidin-4-ylacetyl fluoride (CID 145256764) is 2-oxo-2-piperidin-4-ylacetyl fluoride.
What is the SMILES notation for 2-oxo-2-piperidin-4-ylacetyl fluoride?
The canonical SMILES for 2-oxo-2-piperidin-4-ylacetyl fluoride is O=C(F)C(=O)C1CCNCC1.
What is the InChIKey of 2-oxo-2-piperidin-4-ylacetyl fluoride?
The InChIKey is UBAXJLSLSKWZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO2/c8-7(11)6(10)5-1-3-9-4-2-5/h5,9H,1-4H2.
What are the key properties of 2-oxo-2-piperidin-4-ylacetyl fluoride?
2-oxo-2-piperidin-4-ylacetyl fluoride has a molecular weight of 159.16 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-piperidin-4-ylacetyl fluoride is sourced from PubChem (CID 145256764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).