2,2-difluoro-1-(5-methylundecan-5-yl)piperazine

C16H32F2N2 — CID 167126946

IUPAC2,2-difluoro-1-(5-methylundecan-5-yl)piperazine
SMILESCCCCCCC(C)(CCCC)N1CCNCC1(F)F
InChIInChI=1S/C16H32F2N2/c1-4-6-8-9-11-15(3,10-7-5-2)20-13-12-19-14-16(20,17)18/h19H,4-14H2,1-3H3
InChIKeyXCFJYUUKMLRQIA-UHFFFAOYSA-N
MW290.44 g/mol
LogP4.40
Rot. Bonds9

About 2,2-difluoro-1-(5-methylundecan-5-yl)piperazine

2,2-difluoro-1-(5-methylundecan-5-yl)piperazine (PubChem CID 167126946) has the molecular formula C16H32F2N2 and a molecular weight of 290.44 g/mol. Its IUPAC name is 2,2-difluoro-1-(5-methylundecan-5-yl)piperazine.

Molecular Properties

Compound Name2,2-difluoro-1-(5-methylundecan-5-yl)piperazine
PubChem CID167126946
Molecular FormulaC16H32F2N2
Molecular Weight290.44 g/mol
Exact Mass290.25
IUPAC Name2,2-difluoro-1-(5-methylundecan-5-yl)piperazine
SMILESCCCCCCC(C)(CCCC)N1CCNCC1(F)F
InChIInChI=1S/C16H32F2N2/c1-4-6-8-9-11-15(3,10-7-5-2)20-13-12-19-14-16(20,17)18/h19H,4-14H2,1-3H3
InChIKeyXCFJYUUKMLRQIA-UHFFFAOYSA-N
XLogP4.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(5-methylundecan-5-yl)piperazine?
The IUPAC name of 2,2-difluoro-1-(5-methylundecan-5-yl)piperazine (CID 167126946) is 2,2-difluoro-1-(5-methylundecan-5-yl)piperazine.
What is the SMILES notation for 2,2-difluoro-1-(5-methylundecan-5-yl)piperazine?
The canonical SMILES for 2,2-difluoro-1-(5-methylundecan-5-yl)piperazine is CCCCCCC(C)(CCCC)N1CCNCC1(F)F.
What is the InChIKey of 2,2-difluoro-1-(5-methylundecan-5-yl)piperazine?
The InChIKey is XCFJYUUKMLRQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32F2N2/c1-4-6-8-9-11-15(3,10-7-5-2)20-13-12-19-14-16(20,17)18/h19H,4-14H2,1-3H3.
What are the key properties of 2,2-difluoro-1-(5-methylundecan-5-yl)piperazine?
2,2-difluoro-1-(5-methylundecan-5-yl)piperazine has a molecular weight of 290.44 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(5-methylundecan-5-yl)piperazine is sourced from PubChem (CID 167126946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).