3-ethoxycarbonyl-3-fluoropiperidine-1-carboxylic acid

C9H14FNO4 — CID 131987279

IUPAC3-ethoxycarbonyl-3-fluoropiperidine-1-carboxylic acid
SMILESCCOC(=O)C1(F)CCCN(C(=O)O)C1
InChIInChI=1S/C9H14FNO4/c1-2-15-7(12)9(10)4-3-5-11(6-9)8(13)14/h2-6H2,1H3,(H,13,14)
InChIKeyUCSUTZMOLQPDEH-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.03
Rot. Bonds2

About 3-ethoxycarbonyl-3-fluoropiperidine-1-carboxylic acid

3-ethoxycarbonyl-3-fluoropiperidine-1-carboxylic acid (PubChem CID 131987279) has the molecular formula C9H14FNO4 and a molecular weight of 219.21 g/mol. Its IUPAC name is 3-ethoxycarbonyl-3-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-ethoxycarbonyl-3-fluoropiperidine-1-carboxylic acid
PubChem CID131987279
Molecular FormulaC9H14FNO4
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name3-ethoxycarbonyl-3-fluoropiperidine-1-carboxylic acid
SMILESCCOC(=O)C1(F)CCCN(C(=O)O)C1
InChIInChI=1S/C9H14FNO4/c1-2-15-7(12)9(10)4-3-5-11(6-9)8(13)14/h2-6H2,1H3,(H,13,14)
InChIKeyUCSUTZMOLQPDEH-UHFFFAOYSA-N
XLogP1.03
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxycarbonyl-3-fluoropiperidine-1-carboxylic acid?
The IUPAC name of 3-ethoxycarbonyl-3-fluoropiperidine-1-carboxylic acid (CID 131987279) is 3-ethoxycarbonyl-3-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 3-ethoxycarbonyl-3-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for 3-ethoxycarbonyl-3-fluoropiperidine-1-carboxylic acid is CCOC(=O)C1(F)CCCN(C(=O)O)C1.
What is the InChIKey of 3-ethoxycarbonyl-3-fluoropiperidine-1-carboxylic acid?
The InChIKey is UCSUTZMOLQPDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO4/c1-2-15-7(12)9(10)4-3-5-11(6-9)8(13)14/h2-6H2,1H3,(H,13,14).
What are the key properties of 3-ethoxycarbonyl-3-fluoropiperidine-1-carboxylic acid?
3-ethoxycarbonyl-3-fluoropiperidine-1-carboxylic acid has a molecular weight of 219.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxycarbonyl-3-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 131987279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).