1-[1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]piperazine

C11H15F3N2O — CID 67274392

IUPAC1-[1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]piperazine
SMILESFC(F)(F)OC1(N2CCNCC2)C=CC=CC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)17-10(4-2-1-3-5-10)16-8-6-15-7-9-16/h1-4,15H,5-9H2
InChIKeyURHPYSMUDVHPKP-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.64
Rot. Bonds2

About 1-[1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]piperazine

1-[1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]piperazine (PubChem CID 67274392) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-[1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]piperazine.

Molecular Properties

Compound Name1-[1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]piperazine
PubChem CID67274392
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name1-[1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]piperazine
SMILESFC(F)(F)OC1(N2CCNCC2)C=CC=CC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)17-10(4-2-1-3-5-10)16-8-6-15-7-9-16/h1-4,15H,5-9H2
InChIKeyURHPYSMUDVHPKP-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]piperazine?
The IUPAC name of 1-[1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]piperazine (CID 67274392) is 1-[1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]piperazine.
What is the SMILES notation for 1-[1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]piperazine?
The canonical SMILES for 1-[1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]piperazine is FC(F)(F)OC1(N2CCNCC2)C=CC=CC1.
What is the InChIKey of 1-[1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]piperazine?
The InChIKey is URHPYSMUDVHPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)17-10(4-2-1-3-5-10)16-8-6-15-7-9-16/h1-4,15H,5-9H2.
What are the key properties of 1-[1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]piperazine?
1-[1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]piperazine has a molecular weight of 248.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]piperazine is sourced from PubChem (CID 67274392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).