ethyl (2E)-2-(1-ethylpiperidin-3-ylidene)-2-fluoroacetate

C11H18FNO2 — CID 132608970

IUPACethyl (2E)-2-(1-ethylpiperidin-3-ylidene)-2-fluoroacetate
SMILESCCOC(=O)/C(F)=C1/CCCN(CC)C1
InChIInChI=1S/C11H18FNO2/c1-3-13-7-5-6-9(8-13)10(12)11(14)15-4-2/h3-8H2,1-2H3/b10-9+
InChIKeyLMRHDGXXIAPUNF-MDZDMXLPSA-N
MW215.27 g/mol
LogP1.89
Rot. Bonds3

About ethyl (2E)-2-(1-ethylpiperidin-3-ylidene)-2-fluoroacetate

ethyl (2E)-2-(1-ethylpiperidin-3-ylidene)-2-fluoroacetate (PubChem CID 132608970) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is ethyl (2E)-2-(1-ethylpiperidin-3-ylidene)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl (2E)-2-(1-ethylpiperidin-3-ylidene)-2-fluoroacetate
PubChem CID132608970
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Nameethyl (2E)-2-(1-ethylpiperidin-3-ylidene)-2-fluoroacetate
SMILESCCOC(=O)/C(F)=C1/CCCN(CC)C1
InChIInChI=1S/C11H18FNO2/c1-3-13-7-5-6-9(8-13)10(12)11(14)15-4-2/h3-8H2,1-2H3/b10-9+
InChIKeyLMRHDGXXIAPUNF-MDZDMXLPSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (4E)-4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate
CID 57845350
Tert-butyl 4-(2-ethoxy-1-fluoro-2-oxoethylidene)piperidine-1-carboxylate
CID 58804146
tert-butyl (3Z)-3-(2-ethoxy-1-fluoro-2-oxoethylidene)piperidine-1-carboxylate
CID 59650046
tert-butyl (3E)-3-(2-ethoxy-1-fluoro-2-oxoethylidene)piperidine-1-carboxylate
CID 59650056
ethyl (2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-fluoroacetate
CID 67671971
Ethyl (E)-2-fluoro-2-(quinuclidin-3-ylidene)acetate
CID 67671972
3-(2-Ethoxy-1-fluoro-2-oxoethylidene)piperidine-1-carboxylic acid
CID 68524919
Ethyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate
CID 70973501
Tert-butyl 4-(1-ethoxy-1-oxopropan-2-ylidene)-3-fluoropiperidine-1-carboxylate
CID 70995988
tert-Butyl 3-(2-ethoxy-1-fluoro-2-oxoethylidene)-piperidine-1-carboxylate
CID 72347527
Methyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate
CID 78024834
Ethyl 2-fluoro-2-(piperidin-4-ylidene)acetate
CID 89206048

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(1-ethylpiperidin-3-ylidene)-2-fluoroacetate?
The IUPAC name of ethyl (2E)-2-(1-ethylpiperidin-3-ylidene)-2-fluoroacetate (CID 132608970) is ethyl (2E)-2-(1-ethylpiperidin-3-ylidene)-2-fluoroacetate.
What is the SMILES notation for ethyl (2E)-2-(1-ethylpiperidin-3-ylidene)-2-fluoroacetate?
The canonical SMILES for ethyl (2E)-2-(1-ethylpiperidin-3-ylidene)-2-fluoroacetate is CCOC(=O)/C(F)=C1/CCCN(CC)C1.
What is the InChIKey of ethyl (2E)-2-(1-ethylpiperidin-3-ylidene)-2-fluoroacetate?
The InChIKey is LMRHDGXXIAPUNF-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H18FNO2/c1-3-13-7-5-6-9(8-13)10(12)11(14)15-4-2/h3-8H2,1-2H3/b10-9+.
What are the key properties of ethyl (2E)-2-(1-ethylpiperidin-3-ylidene)-2-fluoroacetate?
ethyl (2E)-2-(1-ethylpiperidin-3-ylidene)-2-fluoroacetate has a molecular weight of 215.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(1-ethylpiperidin-3-ylidene)-2-fluoroacetate is sourced from PubChem (CID 132608970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).