ethyl 2-fluoro-2-piperidin-4-ylideneacetate

C9H14FNO2 — CID 89206048

IUPACethyl 2-fluoro-2-piperidin-4-ylideneacetate
SMILESCCOC(=O)C(F)=C1CCNCC1
InChIInChI=1S/C9H14FNO2/c1-2-13-9(12)8(10)7-3-5-11-6-4-7/h11H,2-6H2,1H3
InChIKeyIGFVLPZEABQXNV-UHFFFAOYSA-N
MW187.21 g/mol
LogP1.16
Rot. Bonds2

About ethyl 2-fluoro-2-piperidin-4-ylideneacetate

ethyl 2-fluoro-2-piperidin-4-ylideneacetate (PubChem CID 89206048) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is ethyl 2-fluoro-2-piperidin-4-ylideneacetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-piperidin-4-ylideneacetate
PubChem CID89206048
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Nameethyl 2-fluoro-2-piperidin-4-ylideneacetate
SMILESCCOC(=O)C(F)=C1CCNCC1
InChIInChI=1S/C9H14FNO2/c1-2-13-9(12)8(10)7-3-5-11-6-4-7/h11H,2-6H2,1H3
InChIKeyIGFVLPZEABQXNV-UHFFFAOYSA-N
XLogP1.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-piperidin-4-ylideneacetate?
The IUPAC name of ethyl 2-fluoro-2-piperidin-4-ylideneacetate (CID 89206048) is ethyl 2-fluoro-2-piperidin-4-ylideneacetate.
What is the SMILES notation for ethyl 2-fluoro-2-piperidin-4-ylideneacetate?
The canonical SMILES for ethyl 2-fluoro-2-piperidin-4-ylideneacetate is CCOC(=O)C(F)=C1CCNCC1.
What is the InChIKey of ethyl 2-fluoro-2-piperidin-4-ylideneacetate?
The InChIKey is IGFVLPZEABQXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-2-13-9(12)8(10)7-3-5-11-6-4-7/h11H,2-6H2,1H3.
What are the key properties of ethyl 2-fluoro-2-piperidin-4-ylideneacetate?
ethyl 2-fluoro-2-piperidin-4-ylideneacetate has a molecular weight of 187.21 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-piperidin-4-ylideneacetate is sourced from PubChem (CID 89206048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).