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

C12H13Cl2F4NO — CID 118353819

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 Name4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidine;hydrochloride
PubChem CID118353819
Molecular FormulaC12H13Cl2F4NO
Molecular Weight334.14 g/mol
Exact Mass333.03
IUPAC Name4-[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
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.14
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).