(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride

C11H13Cl2F3N2 — CID 171193872

IUPAC(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1cccc([C@H]2CNCCN2)c1Cl
InChIInChI=1S/C11H12ClF3N2.ClH/c12-10-7(9-6-16-4-5-17-9)2-1-3-8(10)11(13,14)15;/h1-3,9,16-17H,4-6H2;1H/t9-;/m1./s1
InChIKeyKWJAHXSEOUENFM-SBSPUUFOSA-N
MW301.14 g/mol
LogP3.01
Rot. Bonds1

About (2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride

(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride (PubChem CID 171193872) has the molecular formula C11H13Cl2F3N2 and a molecular weight of 301.14 g/mol. Its IUPAC name is (2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride
PubChem CID171193872
Molecular FormulaC11H13Cl2F3N2
Molecular Weight301.14 g/mol
Exact Mass300.04
IUPAC Name(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1cccc([C@H]2CNCCN2)c1Cl
InChIInChI=1S/C11H12ClF3N2.ClH/c12-10-7(9-6-16-4-5-17-9)2-1-3-8(10)11(13,14)15;/h1-3,9,16-17H,4-6H2;1H/t9-;/m1./s1
InChIKeyKWJAHXSEOUENFM-SBSPUUFOSA-N
XLogP3.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-(2-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414719
1-((2-Chlorophenyl)methyl)piperazine
CID 580769
1-(2-(2-Chlorophenyl)-1-(3-fluorophenyl)ethyl)piperazine
CID 44414690
1-(2-(2-Chlorophenyl)-1-(4-fluorophenyl)ethyl)piperazine
CID 44414692
1-(2-(2-Chlorophenyl)-1-(2-fluorophenyl)ethyl)piperazine
CID 44414762
1-(2-Chloro-benzyl)-piperazine hydrochloride
CID 16809325
1-((2-Chloro-6-fluorophenyl)methyl)piperazine
CID 735737
1-(3-(Trifluoromethyl)benzyl)piperazine
CID 2060855
1-(2-(2,6-Dichlorophenyl)-1-phenylethyl)piperazine
CID 44414780
1-[2-(2-Chlorophenyl)-1-phenylethyl]piperazine;hydrochloride
CID 45263405
Benzenemethanamine, 4-chloro-N-ethyl-3-(trifluoromethyl)-
CID 485442
Benzenemethanamine, 4-chloro-N-propyl-3-(trifluoromethyl)-
CID 485443

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride?
The IUPAC name of (2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride (CID 171193872) is (2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride.
What is the SMILES notation for (2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride?
The canonical SMILES for (2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride is Cl.FC(F)(F)c1cccc([C@H]2CNCCN2)c1Cl.
What is the InChIKey of (2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride?
The InChIKey is KWJAHXSEOUENFM-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H12ClF3N2.ClH/c12-10-7(9-6-16-4-5-17-9)2-1-3-8(10)11(13,14)15;/h1-3,9,16-17H,4-6H2;1H/t9-;/m1./s1.
What are the key properties of (2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride?
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride has a molecular weight of 301.14 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride is sourced from PubChem (CID 171193872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).