1-[2-chloro-4-(trifluoromethyl)phenyl]piperazine;hydrochloride

C11H13Cl2F3N2 — CID 119031194

IUPAC1-[2-chloro-4-(trifluoromethyl)phenyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(N2CCNCC2)c(Cl)c1
InChIInChI=1S/C11H12ClF3N2.ClH/c12-9-7-8(11(13,14)15)1-2-10(9)17-5-3-16-4-6-17;/h1-2,7,16H,3-6H2;1H
InChIKeyMMVXICCUONLKQG-UHFFFAOYSA-N
MW301.14 g/mol
LogP3.19
Rot. Bonds1

About 1-[2-chloro-4-(trifluoromethyl)phenyl]piperazine;hydrochloride

1-[2-chloro-4-(trifluoromethyl)phenyl]piperazine;hydrochloride (PubChem CID 119031194) has the molecular formula C11H13Cl2F3N2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 1-[2-chloro-4-(trifluoromethyl)phenyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-chloro-4-(trifluoromethyl)phenyl]piperazine;hydrochloride
PubChem CID119031194
Molecular FormulaC11H13Cl2F3N2
Molecular Weight301.14 g/mol
Exact Mass300.04
IUPAC Name1-[2-chloro-4-(trifluoromethyl)phenyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(N2CCNCC2)c(Cl)c1
InChIInChI=1S/C11H12ClF3N2.ClH/c12-9-7-8(11(13,14)15)1-2-10(9)17-5-3-16-4-6-17;/h1-2,7,16H,3-6H2;1H
InChIKeyMMVXICCUONLKQG-UHFFFAOYSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]piperazine;hydrochloride?
The IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]piperazine;hydrochloride (CID 119031194) is 1-[2-chloro-4-(trifluoromethyl)phenyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[2-chloro-4-(trifluoromethyl)phenyl]piperazine;hydrochloride?
The canonical SMILES for 1-[2-chloro-4-(trifluoromethyl)phenyl]piperazine;hydrochloride is Cl.FC(F)(F)c1ccc(N2CCNCC2)c(Cl)c1.
What is the InChIKey of 1-[2-chloro-4-(trifluoromethyl)phenyl]piperazine;hydrochloride?
The InChIKey is MMVXICCUONLKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2.ClH/c12-9-7-8(11(13,14)15)1-2-10(9)17-5-3-16-4-6-17;/h1-2,7,16H,3-6H2;1H.
What are the key properties of 1-[2-chloro-4-(trifluoromethyl)phenyl]piperazine;hydrochloride?
1-[2-chloro-4-(trifluoromethyl)phenyl]piperazine;hydrochloride has a molecular weight of 301.14 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(trifluoromethyl)phenyl]piperazine;hydrochloride is sourced from PubChem (CID 119031194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).