1-(difluoromethoxymethyl)piperazine

C6H12F2N2O — CID 175602638

IUPAC1-(difluoromethoxymethyl)piperazine
SMILESFC(F)OCN1CCNCC1
InChIInChI=1S/C6H12F2N2O/c7-6(8)11-5-10-3-1-9-2-4-10/h6,9H,1-5H2
InChIKeyXIIFSWVYQPGLFJ-UHFFFAOYSA-N
MW166.17 g/mol
LogP0.09
Rot. Bonds3

About 1-(difluoromethoxymethyl)piperazine

1-(difluoromethoxymethyl)piperazine (PubChem CID 175602638) has the molecular formula C6H12F2N2O and a molecular weight of 166.17 g/mol. Its IUPAC name is 1-(difluoromethoxymethyl)piperazine.

Molecular Properties

Compound Name1-(difluoromethoxymethyl)piperazine
PubChem CID175602638
Molecular FormulaC6H12F2N2O
Molecular Weight166.17 g/mol
Exact Mass166.09
IUPAC Name1-(difluoromethoxymethyl)piperazine
SMILESFC(F)OCN1CCNCC1
InChIInChI=1S/C6H12F2N2O/c7-6(8)11-5-10-3-1-9-2-4-10/h6,9H,1-5H2
InChIKeyXIIFSWVYQPGLFJ-UHFFFAOYSA-N
XLogP0.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxymethyl)piperazine?
The IUPAC name of 1-(difluoromethoxymethyl)piperazine (CID 175602638) is 1-(difluoromethoxymethyl)piperazine.
What is the SMILES notation for 1-(difluoromethoxymethyl)piperazine?
The canonical SMILES for 1-(difluoromethoxymethyl)piperazine is FC(F)OCN1CCNCC1.
What is the InChIKey of 1-(difluoromethoxymethyl)piperazine?
The InChIKey is XIIFSWVYQPGLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O/c7-6(8)11-5-10-3-1-9-2-4-10/h6,9H,1-5H2.
What are the key properties of 1-(difluoromethoxymethyl)piperazine?
1-(difluoromethoxymethyl)piperazine has a molecular weight of 166.17 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxymethyl)piperazine is sourced from PubChem (CID 175602638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).