4-[4-(2,2,2-trifluoroethoxy)phenoxy]piperidine;hydrochloride

C13H17ClF3NO2 — CID 66593025

IUPAC4-[4-(2,2,2-trifluoroethoxy)phenoxy]piperidine;hydrochloride
SMILESCl.FC(F)(F)COc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C13H16F3NO2.ClH/c14-13(15,16)9-18-10-1-3-11(4-2-10)19-12-5-7-17-8-6-12;/h1-4,12,17H,5-9H2;1H
InChIKeyMWKRBKIVYJRCJW-UHFFFAOYSA-N
MW311.73 g/mol
LogP3.18
Rot. Bonds4

About 4-[4-(2,2,2-trifluoroethoxy)phenoxy]piperidine;hydrochloride

4-[4-(2,2,2-trifluoroethoxy)phenoxy]piperidine;hydrochloride (PubChem CID 66593025) has the molecular formula C13H17ClF3NO2 and a molecular weight of 311.73 g/mol. Its IUPAC name is 4-[4-(2,2,2-trifluoroethoxy)phenoxy]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[4-(2,2,2-trifluoroethoxy)phenoxy]piperidine;hydrochloride
PubChem CID66593025
Molecular FormulaC13H17ClF3NO2
Molecular Weight311.73 g/mol
Exact Mass311.09
IUPAC Name4-[4-(2,2,2-trifluoroethoxy)phenoxy]piperidine;hydrochloride
SMILESCl.FC(F)(F)COc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C13H16F3NO2.ClH/c14-13(15,16)9-18-10-1-3-11(4-2-10)19-12-5-7-17-8-6-12;/h1-4,12,17H,5-9H2;1H
InChIKeyMWKRBKIVYJRCJW-UHFFFAOYSA-N
XLogP3.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2,2-trifluoroethoxy)phenoxy]piperidine;hydrochloride?
The IUPAC name of 4-[4-(2,2,2-trifluoroethoxy)phenoxy]piperidine;hydrochloride (CID 66593025) is 4-[4-(2,2,2-trifluoroethoxy)phenoxy]piperidine;hydrochloride.
What is the SMILES notation for 4-[4-(2,2,2-trifluoroethoxy)phenoxy]piperidine;hydrochloride?
The canonical SMILES for 4-[4-(2,2,2-trifluoroethoxy)phenoxy]piperidine;hydrochloride is Cl.FC(F)(F)COc1ccc(OC2CCNCC2)cc1.
What is the InChIKey of 4-[4-(2,2,2-trifluoroethoxy)phenoxy]piperidine;hydrochloride?
The InChIKey is MWKRBKIVYJRCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2.ClH/c14-13(15,16)9-18-10-1-3-11(4-2-10)19-12-5-7-17-8-6-12;/h1-4,12,17H,5-9H2;1H.
What are the key properties of 4-[4-(2,2,2-trifluoroethoxy)phenoxy]piperidine;hydrochloride?
4-[4-(2,2,2-trifluoroethoxy)phenoxy]piperidine;hydrochloride has a molecular weight of 311.73 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2,2-trifluoroethoxy)phenoxy]piperidine;hydrochloride is sourced from PubChem (CID 66593025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).