4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidine;hydrochloride

Name: 4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidine;hydrochloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₃Cl₂F₄NO — CID 118353819

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidine;hydrochloride

SMILESCl.Fc1c(Cl)cc(C(F)(F)F)cc1OC1CCNCC1

InChIInChI=1S/C12H12ClF4NO.ClH/c13-9-5-7(12(15,16)17)6-10(11(9)14)19-8-1-3-18-4-2-8;/h5-6,8,18H,1-4H2;1H

InChIKeyNHWXXZYUDFFUEL-UHFFFAOYSA-N

MW334.14 g/mol

LogP4.05

Rot. Bonds2

About 4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidine;hydrochloride

4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidine;hydrochloride (PubChem CID 118353819) has the molecular formula C₁₂H₁₃Cl₂F₄NO and a molecular weight of 334.14 g/mol. Its IUPAC name is 4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidine;hydrochloride.

Molecular Properties

Compound Name	4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidine;hydrochloride
PubChem CID	118353819
Molecular Formula	C₁₂H₁₃Cl₂F₄NO
Molecular Weight	334.14 g/mol
Exact Mass	333.03
IUPAC Name	4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidine;hydrochloride
SMILES	Cl.Fc1c(Cl)cc(C(F)(F)F)cc1OC1CCNCC1
InChI	InChI=1S/C12H12ClF4NO.ClH/c13-9-5-7(12(15,16)17)6-10(11(9)14)19-8-1-3-18-4-2-8;/h5-6,8,18H,1-4H2;1H
InChIKey	NHWXXZYUDFFUEL-UHFFFAOYSA-N
XLogP	4.05
TPSA	21.26 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	2
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.14
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidine;hydrochloride?

The IUPAC name of 4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidine;hydrochloride (CID 118353819) is 4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidine;hydrochloride.

What is the SMILES notation for 4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidine;hydrochloride?

The canonical SMILES for 4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidine;hydrochloride is Cl.Fc1c(Cl)cc(C(F)(F)F)cc1OC1CCNCC1.

What is the InChIKey of 4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidine;hydrochloride?

The InChIKey is NHWXXZYUDFFUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF4NO.ClH/c13-9-5-7(12(15,16)17)6-10(11(9)14)19-8-1-3-18-4-2-8;/h5-6,8,18H,1-4H2;1H.

What are the key properties of 4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidine;hydrochloride?

4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidine;hydrochloride has a molecular weight of 334.14 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidine;hydrochloride is sourced from PubChem (CID 118353819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118353819 — identifiers, structure, computed properties (public domain)

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