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

C11H18FNO4 — CID 71189164

IUPACmethyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate
SMILESCCOC(=O)CC1CCN(C(=O)OC)CC1F
InChIInChI=1S/C11H18FNO4/c1-3-17-10(14)6-8-4-5-13(7-9(8)12)11(15)16-2/h8-9H,3-7H2,1-2H3
InChIKeyVJDARDJECBQYSU-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.37
Rot. Bonds3

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

methyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate (PubChem CID 71189164) has the molecular formula C11H18FNO4 and a molecular weight of 247.27 g/mol. Its IUPAC name is methyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate
PubChem CID71189164
Molecular FormulaC11H18FNO4
Molecular Weight247.27 g/mol
Exact Mass247.12
IUPAC Namemethyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate
SMILESCCOC(=O)CC1CCN(C(=O)OC)CC1F
InChIInChI=1S/C11H18FNO4/c1-3-17-10(14)6-8-4-5-13(7-9(8)12)11(15)16-2/h8-9H,3-7H2,1-2H3
InChIKeyVJDARDJECBQYSU-UHFFFAOYSA-N
XLogP1.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate?
The IUPAC name of methyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate (CID 71189164) is methyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate?
The canonical SMILES for methyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate is CCOC(=O)CC1CCN(C(=O)OC)CC1F.
What is the InChIKey of methyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate?
The InChIKey is VJDARDJECBQYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO4/c1-3-17-10(14)6-8-4-5-13(7-9(8)12)11(15)16-2/h8-9H,3-7H2,1-2H3.
What are the key properties of methyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate?
methyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate has a molecular weight of 247.27 g/mol, XLogP of 1.37, 3 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-oxoethyl)-3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 71189164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).