1-[(Z)-6,6,6-trifluorohex-3-enyl]piperazine

C10H17F3N2 — CID 167210269

IUPAC1-[(Z)-6,6,6-trifluorohex-3-enyl]piperazine
SMILESFC(F)(F)C/C=C\CCN1CCNCC1
InChIInChI=1S/C10H17F3N2/c11-10(12,13)4-2-1-3-7-15-8-5-14-6-9-15/h1-2,14H,3-9H2/b2-1-
InChIKeyAIPWFLSJKADIJJ-UPHRSURJSA-N
MW222.25 g/mol
LogP1.79
Rot. Bonds4

About 1-[(Z)-6,6,6-trifluorohex-3-enyl]piperazine

1-[(Z)-6,6,6-trifluorohex-3-enyl]piperazine (PubChem CID 167210269) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-[(Z)-6,6,6-trifluorohex-3-enyl]piperazine.

Molecular Properties

Compound Name1-[(Z)-6,6,6-trifluorohex-3-enyl]piperazine
PubChem CID167210269
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name1-[(Z)-6,6,6-trifluorohex-3-enyl]piperazine
SMILESFC(F)(F)C/C=C\CCN1CCNCC1
InChIInChI=1S/C10H17F3N2/c11-10(12,13)4-2-1-3-7-15-8-5-14-6-9-15/h1-2,14H,3-9H2/b2-1-
InChIKeyAIPWFLSJKADIJJ-UPHRSURJSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-6,6,6-trifluorohex-3-enyl]piperazine?
The IUPAC name of 1-[(Z)-6,6,6-trifluorohex-3-enyl]piperazine (CID 167210269) is 1-[(Z)-6,6,6-trifluorohex-3-enyl]piperazine.
What is the SMILES notation for 1-[(Z)-6,6,6-trifluorohex-3-enyl]piperazine?
The canonical SMILES for 1-[(Z)-6,6,6-trifluorohex-3-enyl]piperazine is FC(F)(F)C/C=C\CCN1CCNCC1.
What is the InChIKey of 1-[(Z)-6,6,6-trifluorohex-3-enyl]piperazine?
The InChIKey is AIPWFLSJKADIJJ-UPHRSURJSA-N. The full InChI is InChI=1S/C10H17F3N2/c11-10(12,13)4-2-1-3-7-15-8-5-14-6-9-15/h1-2,14H,3-9H2/b2-1-.
What are the key properties of 1-[(Z)-6,6,6-trifluorohex-3-enyl]piperazine?
1-[(Z)-6,6,6-trifluorohex-3-enyl]piperazine has a molecular weight of 222.25 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-6,6,6-trifluorohex-3-enyl]piperazine is sourced from PubChem (CID 167210269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).