ethyl (2E)-2-fluoro-2-(1-methylpiperidin-3-ylidene)acetate

C10H16FNO2 — CID 132608969

IUPACethyl (2E)-2-fluoro-2-(1-methylpiperidin-3-ylidene)acetate
SMILESCCOC(=O)/C(F)=C1/CCCN(C)C1
InChIInChI=1S/C10H16FNO2/c1-3-14-10(13)9(11)8-5-4-6-12(2)7-8/h3-7H2,1-2H3/b9-8+
InChIKeyBHMTZKDLCMHWEI-CMDGGOBGSA-N
MW201.24 g/mol
LogP1.50
Rot. Bonds2

About ethyl (2E)-2-fluoro-2-(1-methylpiperidin-3-ylidene)acetate

ethyl (2E)-2-fluoro-2-(1-methylpiperidin-3-ylidene)acetate (PubChem CID 132608969) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is ethyl (2E)-2-fluoro-2-(1-methylpiperidin-3-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-fluoro-2-(1-methylpiperidin-3-ylidene)acetate
PubChem CID132608969
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Nameethyl (2E)-2-fluoro-2-(1-methylpiperidin-3-ylidene)acetate
SMILESCCOC(=O)/C(F)=C1/CCCN(C)C1
InChIInChI=1S/C10H16FNO2/c1-3-14-10(13)9(11)8-5-4-6-12(2)7-8/h3-7H2,1-2H3/b9-8+
InChIKeyBHMTZKDLCMHWEI-CMDGGOBGSA-N
XLogP1.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.50
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-fluoro-2-(1-methylpiperidin-3-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-fluoro-2-(1-methylpiperidin-3-ylidene)acetate (CID 132608969) is ethyl (2E)-2-fluoro-2-(1-methylpiperidin-3-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-fluoro-2-(1-methylpiperidin-3-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-fluoro-2-(1-methylpiperidin-3-ylidene)acetate is CCOC(=O)/C(F)=C1/CCCN(C)C1.
What is the InChIKey of ethyl (2E)-2-fluoro-2-(1-methylpiperidin-3-ylidene)acetate?
The InChIKey is BHMTZKDLCMHWEI-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-3-14-10(13)9(11)8-5-4-6-12(2)7-8/h3-7H2,1-2H3/b9-8+.
What are the key properties of ethyl (2E)-2-fluoro-2-(1-methylpiperidin-3-ylidene)acetate?
ethyl (2E)-2-fluoro-2-(1-methylpiperidin-3-ylidene)acetate has a molecular weight of 201.24 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-fluoro-2-(1-methylpiperidin-3-ylidene)acetate is sourced from PubChem (CID 132608969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).