1-(2,2-difluoroethyl)-4-methylpiperazine

C7H14F2N2 — CID 76646739

IUPAC1-(2,2-difluoroethyl)-4-methylpiperazine
SMILESCN1CCN(CC(F)F)CC1
InChIInChI=1S/C7H14F2N2/c1-10-2-4-11(5-3-10)6-7(8)9/h7H,2-6H2,1H3
InChIKeyJLCWXBGRAJJGPO-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.50
Rot. Bonds2

About 1-(2,2-difluoroethyl)-4-methylpiperazine

1-(2,2-difluoroethyl)-4-methylpiperazine (PubChem CID 76646739) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-methylpiperazine
PubChem CID76646739
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name1-(2,2-difluoroethyl)-4-methylpiperazine
SMILESCN1CCN(CC(F)F)CC1
InChIInChI=1S/C7H14F2N2/c1-10-2-4-11(5-3-10)6-7(8)9/h7H,2-6H2,1H3
InChIKeyJLCWXBGRAJJGPO-UHFFFAOYSA-N
XLogP0.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-methylpiperazine?
The IUPAC name of 1-(2,2-difluoroethyl)-4-methylpiperazine (CID 76646739) is 1-(2,2-difluoroethyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-methylpiperazine?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-methylpiperazine is CN1CCN(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-methylpiperazine?
The InChIKey is JLCWXBGRAJJGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2/c1-10-2-4-11(5-3-10)6-7(8)9/h7H,2-6H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-methylpiperazine?
1-(2,2-difluoroethyl)-4-methylpiperazine has a molecular weight of 164.20 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-methylpiperazine is sourced from PubChem (CID 76646739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).