1-but-2-enyl-4-(2,2,3,4,4,4-hexafluorobutyl)piperazine

C12H18F6N2 — CID 139714683

IUPAC1-but-2-enyl-4-(2,2,3,4,4,4-hexafluorobutyl)piperazine
SMILESCC=CCN1CCN(CC(F)(F)C(F)C(F)(F)F)CC1
InChIInChI=1S/C12H18F6N2/c1-2-3-4-19-5-7-20(8-6-19)9-11(14,15)10(13)12(16,17)18/h2-3,10H,4-9H2,1H3
InChIKeyJWBXPSQVVYTWMZ-UHFFFAOYSA-N
MW304.28 g/mol
LogP2.72
Rot. Bonds5

About 1-but-2-enyl-4-(2,2,3,4,4,4-hexafluorobutyl)piperazine

1-but-2-enyl-4-(2,2,3,4,4,4-hexafluorobutyl)piperazine (PubChem CID 139714683) has the molecular formula C12H18F6N2 and a molecular weight of 304.28 g/mol. Its IUPAC name is 1-but-2-enyl-4-(2,2,3,4,4,4-hexafluorobutyl)piperazine.

Molecular Properties

Compound Name1-but-2-enyl-4-(2,2,3,4,4,4-hexafluorobutyl)piperazine
PubChem CID139714683
Molecular FormulaC12H18F6N2
Molecular Weight304.28 g/mol
Exact Mass304.14
IUPAC Name1-but-2-enyl-4-(2,2,3,4,4,4-hexafluorobutyl)piperazine
SMILESCC=CCN1CCN(CC(F)(F)C(F)C(F)(F)F)CC1
InChIInChI=1S/C12H18F6N2/c1-2-3-4-19-5-7-20(8-6-19)9-11(14,15)10(13)12(16,17)18/h2-3,10H,4-9H2,1H3
InChIKeyJWBXPSQVVYTWMZ-UHFFFAOYSA-N
XLogP2.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Difluoromethyl)-1-ethyl-4-prop-2-enylpiperazine
CID 166698660
1-Methyl-4-prop-2-enyl-2-(trifluoromethyl)piperazine
CID 174261165
1-Butyl-4-prop-2-enylpiperazine
CID 144889573
1,4-Dibutyl-1-prop-2-enylpiperazin-1-ium
CID 162410059

Frequently Asked Questions

What is the IUPAC name of 1-but-2-enyl-4-(2,2,3,4,4,4-hexafluorobutyl)piperazine?
The IUPAC name of 1-but-2-enyl-4-(2,2,3,4,4,4-hexafluorobutyl)piperazine (CID 139714683) is 1-but-2-enyl-4-(2,2,3,4,4,4-hexafluorobutyl)piperazine.
What is the SMILES notation for 1-but-2-enyl-4-(2,2,3,4,4,4-hexafluorobutyl)piperazine?
The canonical SMILES for 1-but-2-enyl-4-(2,2,3,4,4,4-hexafluorobutyl)piperazine is CC=CCN1CCN(CC(F)(F)C(F)C(F)(F)F)CC1.
What is the InChIKey of 1-but-2-enyl-4-(2,2,3,4,4,4-hexafluorobutyl)piperazine?
The InChIKey is JWBXPSQVVYTWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6N2/c1-2-3-4-19-5-7-20(8-6-19)9-11(14,15)10(13)12(16,17)18/h2-3,10H,4-9H2,1H3.
What are the key properties of 1-but-2-enyl-4-(2,2,3,4,4,4-hexafluorobutyl)piperazine?
1-but-2-enyl-4-(2,2,3,4,4,4-hexafluorobutyl)piperazine has a molecular weight of 304.28 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enyl-4-(2,2,3,4,4,4-hexafluorobutyl)piperazine is sourced from PubChem (CID 139714683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).