1-[1,2,2-trifluoro-2-[5-(2,2,3,4,4,4-hexafluorobutyl)-1,4-dioxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine

C15H18F12N2O2 — CID 137452158

IUPAC1-[1,2,2-trifluoro-2-[5-(2,2,3,4,4,4-hexafluorobutyl)-1,4-dioxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine
SMILESFC(C(F)(F)F)C(F)(F)CC1COC(C(F)(F)C(F)N2CCN(C(F)(F)F)CC2)CO1
InChIInChI=1S/C15H18F12N2O2/c16-10(14(22,23)24)12(18,19)5-8-6-31-9(7-30-8)13(20,21)11(17)28-1-3-29(4-2-28)15(25,26)27/h8-11H,1-7H2
InChIKeyHULGNENDFUPTAI-UHFFFAOYSA-N
MW486.30 g/mol
LogP3.76
Rot. Bonds6

About 1-[1,2,2-trifluoro-2-[5-(2,2,3,4,4,4-hexafluorobutyl)-1,4-dioxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine

1-[1,2,2-trifluoro-2-[5-(2,2,3,4,4,4-hexafluorobutyl)-1,4-dioxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine (PubChem CID 137452158) has the molecular formula C15H18F12N2O2 and a molecular weight of 486.30 g/mol. Its IUPAC name is 1-[1,2,2-trifluoro-2-[5-(2,2,3,4,4,4-hexafluorobutyl)-1,4-dioxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-[1,2,2-trifluoro-2-[5-(2,2,3,4,4,4-hexafluorobutyl)-1,4-dioxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine
PubChem CID137452158
Molecular FormulaC15H18F12N2O2
Molecular Weight486.30 g/mol
Exact Mass486.12
IUPAC Name1-[1,2,2-trifluoro-2-[5-(2,2,3,4,4,4-hexafluorobutyl)-1,4-dioxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine
SMILESFC(C(F)(F)F)C(F)(F)CC1COC(C(F)(F)C(F)N2CCN(C(F)(F)F)CC2)CO1
InChIInChI=1S/C15H18F12N2O2/c16-10(14(22,23)24)12(18,19)5-8-6-31-9(7-30-8)13(20,21)11(17)28-1-3-29(4-2-28)15(25,26)27/h8-11H,1-7H2
InChIKeyHULGNENDFUPTAI-UHFFFAOYSA-N
XLogP3.76
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.30
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-[1,2,2-trifluoro-2-[5-(2,2,3,4,4,4-hexafluorobutyl)-1,4-dioxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1,2,2-trifluoro-2-[5-(2,2,3,4,4,4-hexafluorobutyl)-1,4-dioxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine?
The IUPAC name of 1-[1,2,2-trifluoro-2-[5-(2,2,3,4,4,4-hexafluorobutyl)-1,4-dioxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine (CID 137452158) is 1-[1,2,2-trifluoro-2-[5-(2,2,3,4,4,4-hexafluorobutyl)-1,4-dioxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-[1,2,2-trifluoro-2-[5-(2,2,3,4,4,4-hexafluorobutyl)-1,4-dioxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine?
The canonical SMILES for 1-[1,2,2-trifluoro-2-[5-(2,2,3,4,4,4-hexafluorobutyl)-1,4-dioxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine is FC(C(F)(F)F)C(F)(F)CC1COC(C(F)(F)C(F)N2CCN(C(F)(F)F)CC2)CO1.
What is the InChIKey of 1-[1,2,2-trifluoro-2-[5-(2,2,3,4,4,4-hexafluorobutyl)-1,4-dioxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine?
The InChIKey is HULGNENDFUPTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F12N2O2/c16-10(14(22,23)24)12(18,19)5-8-6-31-9(7-30-8)13(20,21)11(17)28-1-3-29(4-2-28)15(25,26)27/h8-11H,1-7H2.
What are the key properties of 1-[1,2,2-trifluoro-2-[5-(2,2,3,4,4,4-hexafluorobutyl)-1,4-dioxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine?
1-[1,2,2-trifluoro-2-[5-(2,2,3,4,4,4-hexafluorobutyl)-1,4-dioxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine has a molecular weight of 486.30 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2,2-trifluoro-2-[5-(2,2,3,4,4,4-hexafluorobutyl)-1,4-dioxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine is sourced from PubChem (CID 137452158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).