4-[(3,3-difluorocyclobutyl)methyl]-6-methylpiperazin-2-one

C10H16F2N2O — CID 126790707

IUPAC4-[(3,3-difluorocyclobutyl)methyl]-6-methylpiperazin-2-one
SMILESCC1CN(CC2CC(F)(F)C2)CC(=O)N1
InChIInChI=1S/C10H16F2N2O/c1-7-4-14(6-9(15)13-7)5-8-2-10(11,12)3-8/h7-8H,2-6H2,1H3,(H,13,15)
InChIKeySZLQIWCJJAYKJY-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.85
Rot. Bonds2

About 4-[(3,3-difluorocyclobutyl)methyl]-6-methylpiperazin-2-one

4-[(3,3-difluorocyclobutyl)methyl]-6-methylpiperazin-2-one (PubChem CID 126790707) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-[(3,3-difluorocyclobutyl)methyl]-6-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[(3,3-difluorocyclobutyl)methyl]-6-methylpiperazin-2-one
PubChem CID126790707
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name4-[(3,3-difluorocyclobutyl)methyl]-6-methylpiperazin-2-one
SMILESCC1CN(CC2CC(F)(F)C2)CC(=O)N1
InChIInChI=1S/C10H16F2N2O/c1-7-4-14(6-9(15)13-7)5-8-2-10(11,12)3-8/h7-8H,2-6H2,1H3,(H,13,15)
InChIKeySZLQIWCJJAYKJY-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluorocyclobutyl)methyl]-6-methylpiperazin-2-one?
The IUPAC name of 4-[(3,3-difluorocyclobutyl)methyl]-6-methylpiperazin-2-one (CID 126790707) is 4-[(3,3-difluorocyclobutyl)methyl]-6-methylpiperazin-2-one.
What is the SMILES notation for 4-[(3,3-difluorocyclobutyl)methyl]-6-methylpiperazin-2-one?
The canonical SMILES for 4-[(3,3-difluorocyclobutyl)methyl]-6-methylpiperazin-2-one is CC1CN(CC2CC(F)(F)C2)CC(=O)N1.
What is the InChIKey of 4-[(3,3-difluorocyclobutyl)methyl]-6-methylpiperazin-2-one?
The InChIKey is SZLQIWCJJAYKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-7-4-14(6-9(15)13-7)5-8-2-10(11,12)3-8/h7-8H,2-6H2,1H3,(H,13,15).
What are the key properties of 4-[(3,3-difluorocyclobutyl)methyl]-6-methylpiperazin-2-one?
4-[(3,3-difluorocyclobutyl)methyl]-6-methylpiperazin-2-one has a molecular weight of 218.25 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-difluorocyclobutyl)methyl]-6-methylpiperazin-2-one is sourced from PubChem (CID 126790707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).