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

C11H14ClF3N2 — CID 171194422

IUPAC(2R)-2-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1cccc([C@@H]2CNCCN2)c1
InChIInChI=1S/C11H13F3N2.ClH/c12-11(13,14)9-3-1-2-8(6-9)10-7-15-4-5-16-10;/h1-3,6,10,15-16H,4-5,7H2;1H/t10-;/m0./s1
InChIKeyXSWUGEJBGIMLRE-PPHPATTJSA-N
MW266.69 g/mol
LogP2.36
Rot. Bonds1

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

(2R)-2-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride (PubChem CID 171194422) has the molecular formula C11H14ClF3N2 and a molecular weight of 266.69 g/mol. Its IUPAC name is (2R)-2-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
PubChem CID171194422
Molecular FormulaC11H14ClF3N2
Molecular Weight266.69 g/mol
Exact Mass266.08
IUPAC Name(2R)-2-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1cccc([C@@H]2CNCCN2)c1
InChIInChI=1S/C11H13F3N2.ClH/c12-11(13,14)9-3-1-2-8(6-9)10-7-15-4-5-16-10;/h1-3,6,10,15-16H,4-5,7H2;1H/t10-;/m0./s1
InChIKeyXSWUGEJBGIMLRE-PPHPATTJSA-N
XLogP2.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride?
The IUPAC name of (2R)-2-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride (CID 171194422) is (2R)-2-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride.
What is the SMILES notation for (2R)-2-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride?
The canonical SMILES for (2R)-2-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride is Cl.FC(F)(F)c1cccc([C@@H]2CNCCN2)c1.
What is the InChIKey of (2R)-2-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride?
The InChIKey is XSWUGEJBGIMLRE-PPHPATTJSA-N. The full InChI is InChI=1S/C11H13F3N2.ClH/c12-11(13,14)9-3-1-2-8(6-9)10-7-15-4-5-16-10;/h1-3,6,10,15-16H,4-5,7H2;1H/t10-;/m0./s1.
What are the key properties of (2R)-2-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride?
(2R)-2-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride has a molecular weight of 266.69 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride is sourced from PubChem (CID 171194422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).