(2R)-2-[2,4-bis(trifluoromethyl)phenyl]piperazine;hydrochloride

C12H13ClF6N2 — CID 171194540

IUPAC(2R)-2-[2,4-bis(trifluoromethyl)phenyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1ccc([C@@H]2CNCCN2)c(C(F)(F)F)c1
InChIInChI=1S/C12H12F6N2.ClH/c13-11(14,15)7-1-2-8(9(5-7)12(16,17)18)10-6-19-3-4-20-10;/h1-2,5,10,19-20H,3-4,6H2;1H/t10-;/m0./s1
InChIKeyHUDCMDVJFKNXOK-PPHPATTJSA-N
MW334.69 g/mol
LogP3.38
Rot. Bonds1

About (2R)-2-[2,4-bis(trifluoromethyl)phenyl]piperazine;hydrochloride

(2R)-2-[2,4-bis(trifluoromethyl)phenyl]piperazine;hydrochloride (PubChem CID 171194540) has the molecular formula C12H13ClF6N2 and a molecular weight of 334.69 g/mol. Its IUPAC name is (2R)-2-[2,4-bis(trifluoromethyl)phenyl]piperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[2,4-bis(trifluoromethyl)phenyl]piperazine;hydrochloride
PubChem CID171194540
Molecular FormulaC12H13ClF6N2
Molecular Weight334.69 g/mol
Exact Mass334.07
IUPAC Name(2R)-2-[2,4-bis(trifluoromethyl)phenyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1ccc([C@@H]2CNCCN2)c(C(F)(F)F)c1
InChIInChI=1S/C12H12F6N2.ClH/c13-11(14,15)7-1-2-8(9(5-7)12(16,17)18)10-6-19-3-4-20-10;/h1-2,5,10,19-20H,3-4,6H2;1H/t10-;/m0./s1
InChIKeyHUDCMDVJFKNXOK-PPHPATTJSA-N
XLogP3.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.69
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine
CID 171196029
(3R)-3-[2,4-bis(trifluoromethyl)phenyl]morpholine
CID 171192773
(2R)-2-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171194422
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171193872
(2S)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazine
CID 171193949
(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]piperazine
CID 171193656
2-[3-fluoro-4-(trifluoromethyl)phenyl]piperazine
CID 91666755
(1R)-1-[3,5-bis(trifluoromethyl)phenyl]-N-methylethanamine;(2S)-2-(4-fluoro-2-methylphenyl)piperazine
CID 162621534
(2R)-2-[2,5-bis(trifluoromethyl)phenyl]pyrrolidine
CID 171196002
(3R)-3-[4-fluoro-2-(trifluoromethyl)phenyl]morpholine;hydrochloride
CID 171192736
(2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride
CID 171194638
(2S)-2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171193868

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2,4-bis(trifluoromethyl)phenyl]piperazine;hydrochloride?
The IUPAC name of (2R)-2-[2,4-bis(trifluoromethyl)phenyl]piperazine;hydrochloride (CID 171194540) is (2R)-2-[2,4-bis(trifluoromethyl)phenyl]piperazine;hydrochloride.
What is the SMILES notation for (2R)-2-[2,4-bis(trifluoromethyl)phenyl]piperazine;hydrochloride?
The canonical SMILES for (2R)-2-[2,4-bis(trifluoromethyl)phenyl]piperazine;hydrochloride is Cl.FC(F)(F)c1ccc([C@@H]2CNCCN2)c(C(F)(F)F)c1.
What is the InChIKey of (2R)-2-[2,4-bis(trifluoromethyl)phenyl]piperazine;hydrochloride?
The InChIKey is HUDCMDVJFKNXOK-PPHPATTJSA-N. The full InChI is InChI=1S/C12H12F6N2.ClH/c13-11(14,15)7-1-2-8(9(5-7)12(16,17)18)10-6-19-3-4-20-10;/h1-2,5,10,19-20H,3-4,6H2;1H/t10-;/m0./s1.
What are the key properties of (2R)-2-[2,4-bis(trifluoromethyl)phenyl]piperazine;hydrochloride?
(2R)-2-[2,4-bis(trifluoromethyl)phenyl]piperazine;hydrochloride has a molecular weight of 334.69 g/mol, XLogP of 3.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2,4-bis(trifluoromethyl)phenyl]piperazine;hydrochloride is sourced from PubChem (CID 171194540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).