ethyl (2E)-2-(3-fluoro-1-methylpiperidin-4-ylidene)acetate

C10H16FNO2 — CID 143028213

IUPACethyl (2E)-2-(3-fluoro-1-methylpiperidin-4-ylidene)acetate
SMILESCCOC(=O)/C=C1\CCN(C)CC1F
InChIInChI=1S/C10H16FNO2/c1-3-14-10(13)6-8-4-5-12(2)7-9(8)11/h6,9H,3-5,7H2,1-2H3/b8-6+
InChIKeyYVDUMCAZXJRUMQ-SOFGYWHQSA-N
MW201.24 g/mol
LogP1.15
Rot. Bonds2

About ethyl (2E)-2-(3-fluoro-1-methylpiperidin-4-ylidene)acetate

ethyl (2E)-2-(3-fluoro-1-methylpiperidin-4-ylidene)acetate (PubChem CID 143028213) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is ethyl (2E)-2-(3-fluoro-1-methylpiperidin-4-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(3-fluoro-1-methylpiperidin-4-ylidene)acetate
PubChem CID143028213
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Nameethyl (2E)-2-(3-fluoro-1-methylpiperidin-4-ylidene)acetate
SMILESCCOC(=O)/C=C1\CCN(C)CC1F
InChIInChI=1S/C10H16FNO2/c1-3-14-10(13)6-8-4-5-12(2)7-9(8)11/h6,9H,3-5,7H2,1-2H3/b8-6+
InChIKeyYVDUMCAZXJRUMQ-SOFGYWHQSA-N
XLogP1.15
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 ≤ 51.15
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

tert-Butyl 4-(2-Ethoxy-2-oxoethylidene)piperidine-1-carboxylate
CID 10333298
ethyl (4E)-4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate
CID 57845350
Tert-butyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate
CID 58804132
Tert-butyl 4-(2-ethoxy-1-fluoro-2-oxoethylidene)piperidine-1-carboxylate
CID 58804146
4-(2-Ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylic acid
CID 68524263
(4E)-4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylic acid
CID 69052401
(4Z)-4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylic acid
CID 69052404
(4Z)-4-(2-ethoxy-2-oxoethylidene)-3,3-difluoropiperidine-1-carboxylic acid
CID 69671838
4-(2-Ethoxy-2-oxoethylidene)-3,3-difluoropiperidine-1-carboxylic acid
CID 69671840
CID 70879987
CID 70879987
Ethyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate
CID 70973501
Methyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate
CID 78024834

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(3-fluoro-1-methylpiperidin-4-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-(3-fluoro-1-methylpiperidin-4-ylidene)acetate (CID 143028213) is ethyl (2E)-2-(3-fluoro-1-methylpiperidin-4-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-(3-fluoro-1-methylpiperidin-4-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-(3-fluoro-1-methylpiperidin-4-ylidene)acetate is CCOC(=O)/C=C1\CCN(C)CC1F.
What is the InChIKey of ethyl (2E)-2-(3-fluoro-1-methylpiperidin-4-ylidene)acetate?
The InChIKey is YVDUMCAZXJRUMQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-3-14-10(13)6-8-4-5-12(2)7-9(8)11/h6,9H,3-5,7H2,1-2H3/b8-6+.
What are the key properties of ethyl (2E)-2-(3-fluoro-1-methylpiperidin-4-ylidene)acetate?
ethyl (2E)-2-(3-fluoro-1-methylpiperidin-4-ylidene)acetate has a molecular weight of 201.24 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(3-fluoro-1-methylpiperidin-4-ylidene)acetate is sourced from PubChem (CID 143028213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).