(3S)-3-[2-(2-fluoroethoxy)ethyl]piperidine

C9H18FNO — CID 86320641

IUPAC(3S)-3-[2-(2-fluoroethoxy)ethyl]piperidine
SMILESFCCOCC[C@@H]1CCCNC1
InChIInChI=1S/C9H18FNO/c10-4-7-12-6-3-9-2-1-5-11-8-9/h9,11H,1-8H2/t9-/m0/s1
InChIKeyREXANKIUFDDMPC-VIFPVBQESA-N
MW175.25 g/mol
LogP1.36
Rot. Bonds5

About (3S)-3-[2-(2-fluoroethoxy)ethyl]piperidine

(3S)-3-[2-(2-fluoroethoxy)ethyl]piperidine (PubChem CID 86320641) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (3S)-3-[2-(2-fluoroethoxy)ethyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[2-(2-fluoroethoxy)ethyl]piperidine
PubChem CID86320641
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(3S)-3-[2-(2-fluoroethoxy)ethyl]piperidine
SMILESFCCOCC[C@@H]1CCCNC1
InChIInChI=1S/C9H18FNO/c10-4-7-12-6-3-9-2-1-5-11-8-9/h9,11H,1-8H2/t9-/m0/s1
InChIKeyREXANKIUFDDMPC-VIFPVBQESA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(2-fluoroethoxy)ethyl]piperidine?
The IUPAC name of (3S)-3-[2-(2-fluoroethoxy)ethyl]piperidine (CID 86320641) is (3S)-3-[2-(2-fluoroethoxy)ethyl]piperidine.
What is the SMILES notation for (3S)-3-[2-(2-fluoroethoxy)ethyl]piperidine?
The canonical SMILES for (3S)-3-[2-(2-fluoroethoxy)ethyl]piperidine is FCCOCC[C@@H]1CCCNC1.
What is the InChIKey of (3S)-3-[2-(2-fluoroethoxy)ethyl]piperidine?
The InChIKey is REXANKIUFDDMPC-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18FNO/c10-4-7-12-6-3-9-2-1-5-11-8-9/h9,11H,1-8H2/t9-/m0/s1.
What are the key properties of (3S)-3-[2-(2-fluoroethoxy)ethyl]piperidine?
(3S)-3-[2-(2-fluoroethoxy)ethyl]piperidine has a molecular weight of 175.25 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(2-fluoroethoxy)ethyl]piperidine is sourced from PubChem (CID 86320641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).