2-fluoroethyl piperidine-1-carboxylate

C8H14FNO2 — CID 123933108

IUPAC2-fluoroethyl piperidine-1-carboxylate
SMILESO=C(OCCF)N1CCCCC1
InChIInChI=1S/C8H14FNO2/c9-4-7-12-8(11)10-5-2-1-3-6-10/h1-7H2
InChIKeyLNQKBIKWLFYIJC-UHFFFAOYSA-N
MW175.20 g/mol
LogP1.58
Rot. Bonds2

About 2-fluoroethyl piperidine-1-carboxylate

2-fluoroethyl piperidine-1-carboxylate (PubChem CID 123933108) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 2-fluoroethyl piperidine-1-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl piperidine-1-carboxylate
PubChem CID123933108
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name2-fluoroethyl piperidine-1-carboxylate
SMILESO=C(OCCF)N1CCCCC1
InChIInChI=1S/C8H14FNO2/c9-4-7-12-8(11)10-5-2-1-3-6-10/h1-7H2
InChIKeyLNQKBIKWLFYIJC-UHFFFAOYSA-N
XLogP1.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl piperidine-1-carboxylate?
The IUPAC name of 2-fluoroethyl piperidine-1-carboxylate (CID 123933108) is 2-fluoroethyl piperidine-1-carboxylate.
What is the SMILES notation for 2-fluoroethyl piperidine-1-carboxylate?
The canonical SMILES for 2-fluoroethyl piperidine-1-carboxylate is O=C(OCCF)N1CCCCC1.
What is the InChIKey of 2-fluoroethyl piperidine-1-carboxylate?
The InChIKey is LNQKBIKWLFYIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c9-4-7-12-8(11)10-5-2-1-3-6-10/h1-7H2.
What are the key properties of 2-fluoroethyl piperidine-1-carboxylate?
2-fluoroethyl piperidine-1-carboxylate has a molecular weight of 175.20 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl piperidine-1-carboxylate is sourced from PubChem (CID 123933108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).