methyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate

C11H16FNO4 — CID 78024834

IUPACmethyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate
SMILESCCOC(=O)C=C1CCN(C(=O)OC)CC1F
InChIInChI=1S/C11H16FNO4/c1-3-17-10(14)6-8-4-5-13(7-9(8)12)11(15)16-2/h6,9H,3-5,7H2,1-2H3
InChIKeyKFFAKYAZBGBNRT-UHFFFAOYSA-N
MW245.25 g/mol
LogP1.29
Rot. Bonds2

About methyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate

methyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate (PubChem CID 78024834) has the molecular formula C11H16FNO4 and a molecular weight of 245.25 g/mol. Its IUPAC name is methyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate
PubChem CID78024834
Molecular FormulaC11H16FNO4
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Namemethyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate
SMILESCCOC(=O)C=C1CCN(C(=O)OC)CC1F
InChIInChI=1S/C11H16FNO4/c1-3-17-10(14)6-8-4-5-13(7-9(8)12)11(15)16-2/h6,9H,3-5,7H2,1-2H3
InChIKeyKFFAKYAZBGBNRT-UHFFFAOYSA-N
XLogP1.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate?
The IUPAC name of methyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate (CID 78024834) is methyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate?
The canonical SMILES for methyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate is CCOC(=O)C=C1CCN(C(=O)OC)CC1F.
What is the InChIKey of methyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate?
The InChIKey is KFFAKYAZBGBNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO4/c1-3-17-10(14)6-8-4-5-13(7-9(8)12)11(15)16-2/h6,9H,3-5,7H2,1-2H3.
What are the key properties of methyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate?
methyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate has a molecular weight of 245.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-ethoxy-2-oxoethylidene)-3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 78024834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).