1-(3,3-difluorocyclobutyl)piperazin-2-one

C8H12F2N2O — CID 67085041

IUPAC1-(3,3-difluorocyclobutyl)piperazin-2-one
SMILESO=C1CNCCN1C1CC(F)(F)C1
InChIInChI=1S/C8H12F2N2O/c9-8(10)3-6(4-8)12-2-1-11-5-7(12)13/h6,11H,1-5H2
InChIKeyKDFLYRDCEPNMPV-UHFFFAOYSA-N
MW190.19 g/mol
LogP0.22
Rot. Bonds1

About 1-(3,3-difluorocyclobutyl)piperazin-2-one

1-(3,3-difluorocyclobutyl)piperazin-2-one (PubChem CID 67085041) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)piperazin-2-one.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)piperazin-2-one
PubChem CID67085041
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name1-(3,3-difluorocyclobutyl)piperazin-2-one
SMILESO=C1CNCCN1C1CC(F)(F)C1
InChIInChI=1S/C8H12F2N2O/c9-8(10)3-6(4-8)12-2-1-11-5-7(12)13/h6,11H,1-5H2
InChIKeyKDFLYRDCEPNMPV-UHFFFAOYSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)piperazin-2-one?
The IUPAC name of 1-(3,3-difluorocyclobutyl)piperazin-2-one (CID 67085041) is 1-(3,3-difluorocyclobutyl)piperazin-2-one.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)piperazin-2-one?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)piperazin-2-one is O=C1CNCCN1C1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)piperazin-2-one?
The InChIKey is KDFLYRDCEPNMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c9-8(10)3-6(4-8)12-2-1-11-5-7(12)13/h6,11H,1-5H2.
What are the key properties of 1-(3,3-difluorocyclobutyl)piperazin-2-one?
1-(3,3-difluorocyclobutyl)piperazin-2-one has a molecular weight of 190.19 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)piperazin-2-one is sourced from PubChem (CID 67085041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).