2-fluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate

C10H14FNO3 — CID 139567591

IUPAC2-fluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate
SMILESC=C(F)COC(=O)C(=O)N1CCCCC1
InChIInChI=1S/C10H14FNO3/c1-8(11)7-15-10(14)9(13)12-5-3-2-4-6-12/h1-7H2
InChIKeyBORMECVZGPPLPG-UHFFFAOYSA-N
MW215.22 g/mol
LogP1.03
Rot. Bonds2

About 2-fluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate

2-fluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate (PubChem CID 139567591) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-fluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate.

Molecular Properties

Compound Name2-fluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate
PubChem CID139567591
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Name2-fluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate
SMILESC=C(F)COC(=O)C(=O)N1CCCCC1
InChIInChI=1S/C10H14FNO3/c1-8(11)7-15-10(14)9(13)12-5-3-2-4-6-12/h1-7H2
InChIKeyBORMECVZGPPLPG-UHFFFAOYSA-N
XLogP1.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.03
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 2-fluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate?
The IUPAC name of 2-fluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate (CID 139567591) is 2-fluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate.
What is the SMILES notation for 2-fluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate?
The canonical SMILES for 2-fluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate is C=C(F)COC(=O)C(=O)N1CCCCC1.
What is the InChIKey of 2-fluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate?
The InChIKey is BORMECVZGPPLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3/c1-8(11)7-15-10(14)9(13)12-5-3-2-4-6-12/h1-7H2.
What are the key properties of 2-fluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate?
2-fluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate has a molecular weight of 215.22 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroprop-2-enyl 2-oxo-2-piperidin-1-ylacetate is sourced from PubChem (CID 139567591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).