1-(2,2-difluoroethyl)-2,2-diethyl-5-propan-2-ylpiperazine

C13H26F2N2 — CID 64839847

IUPAC1-(2,2-difluoroethyl)-2,2-diethyl-5-propan-2-ylpiperazine
SMILESCCC1(CC)CNC(C(C)C)CN1CC(F)F
InChIInChI=1S/C13H26F2N2/c1-5-13(6-2)9-16-11(10(3)4)7-17(13)8-12(14)15/h10-12,16H,5-9H2,1-4H3
InChIKeyFOJURLBOKKULKD-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.74
Rot. Bonds5

About 1-(2,2-difluoroethyl)-2,2-diethyl-5-propan-2-ylpiperazine

1-(2,2-difluoroethyl)-2,2-diethyl-5-propan-2-ylpiperazine (PubChem CID 64839847) has the molecular formula C13H26F2N2 and a molecular weight of 248.36 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2,2-diethyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2,2-diethyl-5-propan-2-ylpiperazine
PubChem CID64839847
Molecular FormulaC13H26F2N2
Molecular Weight248.36 g/mol
Exact Mass248.21
IUPAC Name1-(2,2-difluoroethyl)-2,2-diethyl-5-propan-2-ylpiperazine
SMILESCCC1(CC)CNC(C(C)C)CN1CC(F)F
InChIInChI=1S/C13H26F2N2/c1-5-13(6-2)9-16-11(10(3)4)7-17(13)8-12(14)15/h10-12,16H,5-9H2,1-4H3
InChIKeyFOJURLBOKKULKD-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-2,2-diethyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-(2,2-difluoroethyl)-2,2-diethyl-5-propan-2-ylpiperazine (CID 64839847) is 1-(2,2-difluoroethyl)-2,2-diethyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2,2-diethyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-(2,2-difluoroethyl)-2,2-diethyl-5-propan-2-ylpiperazine is CCC1(CC)CNC(C(C)C)CN1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-2,2-diethyl-5-propan-2-ylpiperazine?
The InChIKey is FOJURLBOKKULKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2N2/c1-5-13(6-2)9-16-11(10(3)4)7-17(13)8-12(14)15/h10-12,16H,5-9H2,1-4H3.
What are the key properties of 1-(2,2-difluoroethyl)-2,2-diethyl-5-propan-2-ylpiperazine?
1-(2,2-difluoroethyl)-2,2-diethyl-5-propan-2-ylpiperazine has a molecular weight of 248.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2,2-diethyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 64839847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).