4-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]piperidine

C17H16ClF2NO2 — CID 53322027

IUPAC4-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]piperidine
SMILESFc1cccc(Cl)c1Oc1cccc(F)c1OC1CCNCC1
InChIInChI=1S/C17H16ClF2NO2/c18-12-3-1-4-13(19)16(12)23-15-6-2-5-14(20)17(15)22-11-7-9-21-10-8-11/h1-6,11,21H,7-10H2
InChIKeyLGPYPLZSWZJHBL-UHFFFAOYSA-N
MW339.77 g/mol
LogP4.54
Rot. Bonds4

About 4-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]piperidine

4-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]piperidine (PubChem CID 53322027) has the molecular formula C17H16ClF2NO2 and a molecular weight of 339.77 g/mol. Its IUPAC name is 4-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]piperidine.

Molecular Properties

Compound Name4-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]piperidine
PubChem CID53322027
Molecular FormulaC17H16ClF2NO2
Molecular Weight339.77 g/mol
Exact Mass339.08
IUPAC Name4-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]piperidine
SMILESFc1cccc(Cl)c1Oc1cccc(F)c1OC1CCNCC1
InChIInChI=1S/C17H16ClF2NO2/c18-12-3-1-4-13(19)16(12)23-15-6-2-5-14(20)17(15)22-11-7-9-21-10-8-11/h1-6,11,21H,7-10H2
InChIKeyLGPYPLZSWZJHBL-UHFFFAOYSA-N
XLogP4.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.77
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]piperidine?
The IUPAC name of 4-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]piperidine (CID 53322027) is 4-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]piperidine.
What is the SMILES notation for 4-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]piperidine?
The canonical SMILES for 4-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]piperidine is Fc1cccc(Cl)c1Oc1cccc(F)c1OC1CCNCC1.
What is the InChIKey of 4-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]piperidine?
The InChIKey is LGPYPLZSWZJHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO2/c18-12-3-1-4-13(19)16(12)23-15-6-2-5-14(20)17(15)22-11-7-9-21-10-8-11/h1-6,11,21H,7-10H2.
What are the key properties of 4-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]piperidine?
4-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]piperidine has a molecular weight of 339.77 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]piperidine is sourced from PubChem (CID 53322027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).