ethyl 3-fluoropiperidine-4-carboxylate

C8H14FNO2 — CID 105436055

IUPACethyl 3-fluoropiperidine-4-carboxylate
SMILESCCOC(=O)C1CCNCC1F
InChIInChI=1S/C8H14FNO2/c1-2-12-8(11)6-3-4-10-5-7(6)9/h6-7,10H,2-5H2,1H3
InChIKeyICBOHTAAAQSJJR-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.50
Rot. Bonds2

About ethyl 3-fluoropiperidine-4-carboxylate

ethyl 3-fluoropiperidine-4-carboxylate (PubChem CID 105436055) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is ethyl 3-fluoropiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-fluoropiperidine-4-carboxylate
PubChem CID105436055
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Nameethyl 3-fluoropiperidine-4-carboxylate
SMILESCCOC(=O)C1CCNCC1F
InChIInChI=1S/C8H14FNO2/c1-2-12-8(11)6-3-4-10-5-7(6)9/h6-7,10H,2-5H2,1H3
InChIKeyICBOHTAAAQSJJR-UHFFFAOYSA-N
XLogP0.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-fluoropiperidine-4-carboxylate?
The IUPAC name of ethyl 3-fluoropiperidine-4-carboxylate (CID 105436055) is ethyl 3-fluoropiperidine-4-carboxylate.
What is the SMILES notation for ethyl 3-fluoropiperidine-4-carboxylate?
The canonical SMILES for ethyl 3-fluoropiperidine-4-carboxylate is CCOC(=O)C1CCNCC1F.
What is the InChIKey of ethyl 3-fluoropiperidine-4-carboxylate?
The InChIKey is ICBOHTAAAQSJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-2-12-8(11)6-3-4-10-5-7(6)9/h6-7,10H,2-5H2,1H3.
What are the key properties of ethyl 3-fluoropiperidine-4-carboxylate?
ethyl 3-fluoropiperidine-4-carboxylate has a molecular weight of 175.20 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-fluoropiperidine-4-carboxylate is sourced from PubChem (CID 105436055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).