1-ethyl-4-[2-(2,2,2-trifluoroethyl)but-2-enyl]piperazine

C12H21F3N2 — CID 123724920

IUPAC1-ethyl-4-[2-(2,2,2-trifluoroethyl)but-2-enyl]piperazine
SMILESCC=C(CN1CCN(CC)CC1)CC(F)(F)F
InChIInChI=1S/C12H21F3N2/c1-3-11(9-12(13,14)15)10-17-7-5-16(4-2)6-8-17/h3H,4-10H2,1-2H3
InChIKeyAKIBXNQARNJKBH-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.52
Rot. Bonds4

About 1-ethyl-4-[2-(2,2,2-trifluoroethyl)but-2-enyl]piperazine

1-ethyl-4-[2-(2,2,2-trifluoroethyl)but-2-enyl]piperazine (PubChem CID 123724920) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-ethyl-4-[2-(2,2,2-trifluoroethyl)but-2-enyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[2-(2,2,2-trifluoroethyl)but-2-enyl]piperazine
PubChem CID123724920
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name1-ethyl-4-[2-(2,2,2-trifluoroethyl)but-2-enyl]piperazine
SMILESCC=C(CN1CCN(CC)CC1)CC(F)(F)F
InChIInChI=1S/C12H21F3N2/c1-3-11(9-12(13,14)15)10-17-7-5-16(4-2)6-8-17/h3H,4-10H2,1-2H3
InChIKeyAKIBXNQARNJKBH-UHFFFAOYSA-N
XLogP2.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-4-[2-(2,2,2-trifluoroethyl)but-2-enyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-(3,3,3-trifluoropropyl)-3,6-dihydro-2H-pyridine
CID 69929361
4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 89078466
1-[(E)-5,5,5-trifluoro-3-methylpent-2-enyl]piperazine
CID 90110608
1-[2-Ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine
CID 123401847
1-Methyl-4-[2-(1,1,1-trifluoropropan-2-ylidene)pent-3-enyl]piperazine
CID 123611666
1-Methyl-4-[[4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine
CID 123679716
1-Ethyl-4-[2-methyl-3-(trifluoromethyl)penta-2,4-dienyl]piperazine
CID 123728932
1-[2-Ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-4-ethylpiperazine
CID 123762068
1-[2-(3,3-Difluorobutan-2-ylidene)hex-3-enyl]-4-ethylpiperazine
CID 123900297
1-Ethyl-4-[2-methylidene-3-(trifluoromethyl)but-3-enyl]piperazine
CID 123907507
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enyl]piperazine
CID 123958710
1-Ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
CID 123987426

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(2,2,2-trifluoroethyl)but-2-enyl]piperazine?
The IUPAC name of 1-ethyl-4-[2-(2,2,2-trifluoroethyl)but-2-enyl]piperazine (CID 123724920) is 1-ethyl-4-[2-(2,2,2-trifluoroethyl)but-2-enyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[2-(2,2,2-trifluoroethyl)but-2-enyl]piperazine?
The canonical SMILES for 1-ethyl-4-[2-(2,2,2-trifluoroethyl)but-2-enyl]piperazine is CC=C(CN1CCN(CC)CC1)CC(F)(F)F.
What is the InChIKey of 1-ethyl-4-[2-(2,2,2-trifluoroethyl)but-2-enyl]piperazine?
The InChIKey is AKIBXNQARNJKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-3-11(9-12(13,14)15)10-17-7-5-16(4-2)6-8-17/h3H,4-10H2,1-2H3.
What are the key properties of 1-ethyl-4-[2-(2,2,2-trifluoroethyl)but-2-enyl]piperazine?
1-ethyl-4-[2-(2,2,2-trifluoroethyl)but-2-enyl]piperazine has a molecular weight of 250.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(2,2,2-trifluoroethyl)but-2-enyl]piperazine is sourced from PubChem (CID 123724920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).