4-[3-(2,2-difluoroethoxy)propanoyl]-3,3-dimethylpiperazin-2-one

C11H18F2N2O3 — CID 103209266

IUPAC4-[3-(2,2-difluoroethoxy)propanoyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)CCOCC(F)F
InChIInChI=1S/C11H18F2N2O3/c1-11(2)10(17)14-4-5-15(11)9(16)3-6-18-7-8(12)13/h8H,3-7H2,1-2H3,(H,14,17)
InChIKeyRIERWMPZYIRUOD-UHFFFAOYSA-N
MW264.27 g/mol
LogP0.40
Rot. Bonds5

About 4-[3-(2,2-difluoroethoxy)propanoyl]-3,3-dimethylpiperazin-2-one

4-[3-(2,2-difluoroethoxy)propanoyl]-3,3-dimethylpiperazin-2-one (PubChem CID 103209266) has the molecular formula C11H18F2N2O3 and a molecular weight of 264.27 g/mol. Its IUPAC name is 4-[3-(2,2-difluoroethoxy)propanoyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-(2,2-difluoroethoxy)propanoyl]-3,3-dimethylpiperazin-2-one
PubChem CID103209266
Molecular FormulaC11H18F2N2O3
Molecular Weight264.27 g/mol
Exact Mass264.13
IUPAC Name4-[3-(2,2-difluoroethoxy)propanoyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)CCOCC(F)F
InChIInChI=1S/C11H18F2N2O3/c1-11(2)10(17)14-4-5-15(11)9(16)3-6-18-7-8(12)13/h8H,3-7H2,1-2H3,(H,14,17)
InChIKeyRIERWMPZYIRUOD-UHFFFAOYSA-N
XLogP0.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2-difluoroethoxy)propanoyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[3-(2,2-difluoroethoxy)propanoyl]-3,3-dimethylpiperazin-2-one (CID 103209266) is 4-[3-(2,2-difluoroethoxy)propanoyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[3-(2,2-difluoroethoxy)propanoyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[3-(2,2-difluoroethoxy)propanoyl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)CCOCC(F)F.
What is the InChIKey of 4-[3-(2,2-difluoroethoxy)propanoyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is RIERWMPZYIRUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O3/c1-11(2)10(17)14-4-5-15(11)9(16)3-6-18-7-8(12)13/h8H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 4-[3-(2,2-difluoroethoxy)propanoyl]-3,3-dimethylpiperazin-2-one?
4-[3-(2,2-difluoroethoxy)propanoyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 264.27 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2-difluoroethoxy)propanoyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 103209266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).