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

C11H15F3N2 — CID 143838520

IUPAC1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
SMILESFC(F)(F)C1=CCC(N2CCNCC2)C=C1
InChIInChI=1S/C11H15F3N2/c12-11(13,14)9-1-3-10(4-2-9)16-7-5-15-6-8-16/h1-3,10,15H,4-8H2
InChIKeyFDTFESKQMXZWOQ-UHFFFAOYSA-N
MW232.25 g/mol
LogP1.71
Rot. Bonds1

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

1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine (PubChem CID 143838520) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
PubChem CID143838520
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
SMILESFC(F)(F)C1=CCC(N2CCNCC2)C=C1
InChIInChI=1S/C11H15F3N2/c12-11(13,14)9-1-3-10(4-2-9)16-7-5-15-6-8-16/h1-3,10,15H,4-8H2
InChIKeyFDTFESKQMXZWOQ-UHFFFAOYSA-N
XLogP1.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine?
The IUPAC name of 1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine (CID 143838520) is 1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine.
What is the SMILES notation for 1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine?
The canonical SMILES for 1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine is FC(F)(F)C1=CCC(N2CCNCC2)C=C1.
What is the InChIKey of 1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine?
The InChIKey is FDTFESKQMXZWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c12-11(13,14)9-1-3-10(4-2-9)16-7-5-15-6-8-16/h1-3,10,15H,4-8H2.
What are the key properties of 1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine?
1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine has a molecular weight of 232.25 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine is sourced from PubChem (CID 143838520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).