2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide

C10H14F2N2O2 — CID 146447186

IUPAC2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
SMILESO=C(NCC1C(=O)C2CCN1CC2)C(F)F
InChIInChI=1S/C10H14F2N2O2/c11-9(12)10(16)13-5-7-8(15)6-1-3-14(7)4-2-6/h6-7,9H,1-5H2,(H,13,16)
InChIKeyVOQWPIBIZRWJHI-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.03
Rot. Bonds3

About 2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide

2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide (PubChem CID 146447186) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
PubChem CID146447186
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Name2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
SMILESO=C(NCC1C(=O)C2CCN1CC2)C(F)F
InChIInChI=1S/C10H14F2N2O2/c11-9(12)10(16)13-5-7-8(15)6-1-3-14(7)4-2-6/h6-7,9H,1-5H2,(H,13,16)
InChIKeyVOQWPIBIZRWJHI-UHFFFAOYSA-N
XLogP0.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide (CID 146447186) is 2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide is O=C(NCC1C(=O)C2CCN1CC2)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The InChIKey is VOQWPIBIZRWJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c11-9(12)10(16)13-5-7-8(15)6-1-3-14(7)4-2-6/h6-7,9H,1-5H2,(H,13,16).
What are the key properties of 2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide has a molecular weight of 232.23 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide is sourced from PubChem (CID 146447186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).