2-(1,1-difluoroethyl)piperazine

C6H12F2N2 — CID 19763581

IUPAC2-(1,1-difluoroethyl)piperazine
SMILESCC(F)(F)C1CNCCN1
InChIInChI=1S/C6H12F2N2/c1-6(7,8)5-4-9-2-3-10-5/h5,9-10H,2-4H2,1H3
InChIKeyNDQXSRKVNSUVEW-UHFFFAOYSA-N
MW150.17 g/mol
LogP0.20
Rot. Bonds1

About 2-(1,1-difluoroethyl)piperazine

2-(1,1-difluoroethyl)piperazine (PubChem CID 19763581) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)piperazine.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)piperazine
PubChem CID19763581
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name2-(1,1-difluoroethyl)piperazine
SMILESCC(F)(F)C1CNCCN1
InChIInChI=1S/C6H12F2N2/c1-6(7,8)5-4-9-2-3-10-5/h5,9-10H,2-4H2,1H3
InChIKeyNDQXSRKVNSUVEW-UHFFFAOYSA-N
XLogP0.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)piperazine?
The IUPAC name of 2-(1,1-difluoroethyl)piperazine (CID 19763581) is 2-(1,1-difluoroethyl)piperazine.
What is the SMILES notation for 2-(1,1-difluoroethyl)piperazine?
The canonical SMILES for 2-(1,1-difluoroethyl)piperazine is CC(F)(F)C1CNCCN1.
What is the InChIKey of 2-(1,1-difluoroethyl)piperazine?
The InChIKey is NDQXSRKVNSUVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2/c1-6(7,8)5-4-9-2-3-10-5/h5,9-10H,2-4H2,1H3.
What are the key properties of 2-(1,1-difluoroethyl)piperazine?
2-(1,1-difluoroethyl)piperazine has a molecular weight of 150.17 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)piperazine is sourced from PubChem (CID 19763581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).