1-[(1E,6E)-6-(trifluoromethyl)cycloocta-1,4,6-trien-1-yl]piperazine

C13H17F3N2 — CID 143298357

IUPAC1-[(1E,6E)-6-(trifluoromethyl)cycloocta-1,4,6-trien-1-yl]piperazine
SMILESFC(F)(F)/C1=C/C/C(N2CCNCC2)=C\CC=C1
InChIInChI=1S/C13H17F3N2/c14-13(15,16)11-3-1-2-4-12(6-5-11)18-9-7-17-8-10-18/h1,3-5,17H,2,6-10H2/b3-1?,11-5+,12-4+
InChIKeyYCXNOMQYSWINLX-ZNIKLWQSSA-N
MW258.29 g/mol
LogP2.61
Rot. Bonds1

About 1-[(1E,6E)-6-(trifluoromethyl)cycloocta-1,4,6-trien-1-yl]piperazine

1-[(1E,6E)-6-(trifluoromethyl)cycloocta-1,4,6-trien-1-yl]piperazine (PubChem CID 143298357) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-[(1E,6E)-6-(trifluoromethyl)cycloocta-1,4,6-trien-1-yl]piperazine.

Molecular Properties

Compound Name1-[(1E,6E)-6-(trifluoromethyl)cycloocta-1,4,6-trien-1-yl]piperazine
PubChem CID143298357
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name1-[(1E,6E)-6-(trifluoromethyl)cycloocta-1,4,6-trien-1-yl]piperazine
SMILESFC(F)(F)/C1=C/C/C(N2CCNCC2)=C\CC=C1
InChIInChI=1S/C13H17F3N2/c14-13(15,16)11-3-1-2-4-12(6-5-11)18-9-7-17-8-10-18/h1,3-5,17H,2,6-10H2/b3-1?,11-5+,12-4+
InChIKeyYCXNOMQYSWINLX-ZNIKLWQSSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1E,6E)-6-(trifluoromethyl)cycloocta-1,4,6-trien-1-yl]piperazine?
The IUPAC name of 1-[(1E,6E)-6-(trifluoromethyl)cycloocta-1,4,6-trien-1-yl]piperazine (CID 143298357) is 1-[(1E,6E)-6-(trifluoromethyl)cycloocta-1,4,6-trien-1-yl]piperazine.
What is the SMILES notation for 1-[(1E,6E)-6-(trifluoromethyl)cycloocta-1,4,6-trien-1-yl]piperazine?
The canonical SMILES for 1-[(1E,6E)-6-(trifluoromethyl)cycloocta-1,4,6-trien-1-yl]piperazine is FC(F)(F)/C1=C/C/C(N2CCNCC2)=C\CC=C1.
What is the InChIKey of 1-[(1E,6E)-6-(trifluoromethyl)cycloocta-1,4,6-trien-1-yl]piperazine?
The InChIKey is YCXNOMQYSWINLX-ZNIKLWQSSA-N. The full InChI is InChI=1S/C13H17F3N2/c14-13(15,16)11-3-1-2-4-12(6-5-11)18-9-7-17-8-10-18/h1,3-5,17H,2,6-10H2/b3-1?,11-5+,12-4+.
What are the key properties of 1-[(1E,6E)-6-(trifluoromethyl)cycloocta-1,4,6-trien-1-yl]piperazine?
1-[(1E,6E)-6-(trifluoromethyl)cycloocta-1,4,6-trien-1-yl]piperazine has a molecular weight of 258.29 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,6E)-6-(trifluoromethyl)cycloocta-1,4,6-trien-1-yl]piperazine is sourced from PubChem (CID 143298357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).