1-[2-(trifluoromethoxy)ethyl]piperazine;dihydrochloride

C7H15Cl2F3N2O — CID 122163589

IUPAC1-[2-(trifluoromethoxy)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)OCCN1CCNCC1
InChIInChI=1S/C7H13F3N2O.2ClH/c8-7(9,10)13-6-5-12-3-1-11-2-4-12;;/h11H,1-6H2;2*1H
InChIKeyXUUZBVWJOFTCGS-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.27
Rot. Bonds3

About 1-[2-(trifluoromethoxy)ethyl]piperazine;dihydrochloride

1-[2-(trifluoromethoxy)ethyl]piperazine;dihydrochloride (PubChem CID 122163589) has the molecular formula C7H15Cl2F3N2O and a molecular weight of 271.11 g/mol. Its IUPAC name is 1-[2-(trifluoromethoxy)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[2-(trifluoromethoxy)ethyl]piperazine;dihydrochloride
PubChem CID122163589
Molecular FormulaC7H15Cl2F3N2O
Molecular Weight271.11 g/mol
Exact Mass270.05
IUPAC Name1-[2-(trifluoromethoxy)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)OCCN1CCNCC1
InChIInChI=1S/C7H13F3N2O.2ClH/c8-7(9,10)13-6-5-12-3-1-11-2-4-12;;/h11H,1-6H2;2*1H
InChIKeyXUUZBVWJOFTCGS-UHFFFAOYSA-N
XLogP1.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethoxy)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[2-(trifluoromethoxy)ethyl]piperazine;dihydrochloride (CID 122163589) is 1-[2-(trifluoromethoxy)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[2-(trifluoromethoxy)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[2-(trifluoromethoxy)ethyl]piperazine;dihydrochloride is Cl.Cl.FC(F)(F)OCCN1CCNCC1.
What is the InChIKey of 1-[2-(trifluoromethoxy)ethyl]piperazine;dihydrochloride?
The InChIKey is XUUZBVWJOFTCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O.2ClH/c8-7(9,10)13-6-5-12-3-1-11-2-4-12;;/h11H,1-6H2;2*1H.
What are the key properties of 1-[2-(trifluoromethoxy)ethyl]piperazine;dihydrochloride?
1-[2-(trifluoromethoxy)ethyl]piperazine;dihydrochloride has a molecular weight of 271.11 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethoxy)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 122163589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).