1-[3,5-bis(trifluoromethyl)phenyl]piperazine

C12H12F6N2 — CID 770558

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cc(N2CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H12F6N2/c13-11(14,15)8-5-9(12(16,17)18)7-10(6-8)20-3-1-19-2-4-20/h5-7,19H,1-4H2
InChIKeyKBJABLNQZCSKGE-UHFFFAOYSA-N
MW298.23 g/mol
LogP3.13
Rot. Bonds1

About 1-[3,5-bis(trifluoromethyl)phenyl]piperazine

1-[3,5-bis(trifluoromethyl)phenyl]piperazine (PubChem CID 770558) has the molecular formula C12H12F6N2 and a molecular weight of 298.23 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]piperazine
PubChem CID770558
Molecular FormulaC12H12F6N2
Molecular Weight298.23 g/mol
Exact Mass298.09
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cc(N2CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H12F6N2/c13-11(14,15)8-5-9(12(16,17)18)7-10(6-8)20-3-1-19-2-4-20/h5-7,19H,1-4H2
InChIKeyKBJABLNQZCSKGE-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]piperazine (CID 770558) is 1-[3,5-bis(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cc(N2CCNCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]piperazine?
The InChIKey is KBJABLNQZCSKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6N2/c13-11(14,15)8-5-9(12(16,17)18)7-10(6-8)20-3-1-19-2-4-20/h5-7,19H,1-4H2.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]piperazine?
1-[3,5-bis(trifluoromethyl)phenyl]piperazine has a molecular weight of 298.23 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 770558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).