1-[(E)-5,5,5-trifluoro-3-methylpent-2-enyl]piperazine

C10H17F3N2 — CID 90110608

IUPAC1-[(E)-5,5,5-trifluoro-3-methylpent-2-enyl]piperazine
SMILESC/C(=C\CN1CCNCC1)CC(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-9(8-10(11,12)13)2-5-15-6-3-14-4-7-15/h2,14H,3-8H2,1H3/b9-2+
InChIKeyYWRFUHAMVMRVQN-XNWCZRBMSA-N
MW222.25 g/mol
LogP1.79
Rot. Bonds3

About 1-[(E)-5,5,5-trifluoro-3-methylpent-2-enyl]piperazine

1-[(E)-5,5,5-trifluoro-3-methylpent-2-enyl]piperazine (PubChem CID 90110608) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-[(E)-5,5,5-trifluoro-3-methylpent-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(E)-5,5,5-trifluoro-3-methylpent-2-enyl]piperazine
PubChem CID90110608
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name1-[(E)-5,5,5-trifluoro-3-methylpent-2-enyl]piperazine
SMILESC/C(=C\CN1CCNCC1)CC(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-9(8-10(11,12)13)2-5-15-6-3-14-4-7-15/h2,14H,3-8H2,1H3/b9-2+
InChIKeyYWRFUHAMVMRVQN-XNWCZRBMSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-[(E)-5,5,5-trifluoro-3-methylpent-2-enyl]piperazine?
The IUPAC name of 1-[(E)-5,5,5-trifluoro-3-methylpent-2-enyl]piperazine (CID 90110608) is 1-[(E)-5,5,5-trifluoro-3-methylpent-2-enyl]piperazine.
What is the SMILES notation for 1-[(E)-5,5,5-trifluoro-3-methylpent-2-enyl]piperazine?
The canonical SMILES for 1-[(E)-5,5,5-trifluoro-3-methylpent-2-enyl]piperazine is C/C(=C\CN1CCNCC1)CC(F)(F)F.
What is the InChIKey of 1-[(E)-5,5,5-trifluoro-3-methylpent-2-enyl]piperazine?
The InChIKey is YWRFUHAMVMRVQN-XNWCZRBMSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-9(8-10(11,12)13)2-5-15-6-3-14-4-7-15/h2,14H,3-8H2,1H3/b9-2+.
What are the key properties of 1-[(E)-5,5,5-trifluoro-3-methylpent-2-enyl]piperazine?
1-[(E)-5,5,5-trifluoro-3-methylpent-2-enyl]piperazine has a molecular weight of 222.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5,5,5-trifluoro-3-methylpent-2-enyl]piperazine is sourced from PubChem (CID 90110608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).