1-(5,5-difluorohex-1-en-2-yl)-4-propan-2-ylpiperazine

C13H24F2N2 — CID 166844070

IUPAC1-(5,5-difluorohex-1-en-2-yl)-4-propan-2-ylpiperazine
SMILESC=C(CCC(C)(F)F)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H24F2N2/c1-11(2)16-7-9-17(10-8-16)12(3)5-6-13(4,14)15/h11H,3,5-10H2,1-2,4H3
InChIKeyLGERUBZBSPMZCA-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.96
Rot. Bonds5

About 1-(5,5-difluorohex-1-en-2-yl)-4-propan-2-ylpiperazine

1-(5,5-difluorohex-1-en-2-yl)-4-propan-2-ylpiperazine (PubChem CID 166844070) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-(5,5-difluorohex-1-en-2-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(5,5-difluorohex-1-en-2-yl)-4-propan-2-ylpiperazine
PubChem CID166844070
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Name1-(5,5-difluorohex-1-en-2-yl)-4-propan-2-ylpiperazine
SMILESC=C(CCC(C)(F)F)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H24F2N2/c1-11(2)16-7-9-17(10-8-16)12(3)5-6-13(4,14)15/h11H,3,5-10H2,1-2,4H3
InChIKeyLGERUBZBSPMZCA-UHFFFAOYSA-N
XLogP2.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-difluorohex-1-en-2-yl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(5,5-difluorohex-1-en-2-yl)-4-propan-2-ylpiperazine (CID 166844070) is 1-(5,5-difluorohex-1-en-2-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(5,5-difluorohex-1-en-2-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(5,5-difluorohex-1-en-2-yl)-4-propan-2-ylpiperazine is C=C(CCC(C)(F)F)N1CCN(C(C)C)CC1.
What is the InChIKey of 1-(5,5-difluorohex-1-en-2-yl)-4-propan-2-ylpiperazine?
The InChIKey is LGERUBZBSPMZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2/c1-11(2)16-7-9-17(10-8-16)12(3)5-6-13(4,14)15/h11H,3,5-10H2,1-2,4H3.
What are the key properties of 1-(5,5-difluorohex-1-en-2-yl)-4-propan-2-ylpiperazine?
1-(5,5-difluorohex-1-en-2-yl)-4-propan-2-ylpiperazine has a molecular weight of 246.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-difluorohex-1-en-2-yl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 166844070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).