2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide

C11H15F3N2O2 — CID 164901783

IUPAC2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
SMILESCC12CCN(CC1)C(CNC(=O)C(F)(F)F)C2=O
InChIInChI=1S/C11H15F3N2O2/c1-10-2-4-16(5-3-10)7(8(10)17)6-15-9(18)11(12,13)14/h7H,2-6H2,1H3,(H,15,18)
InChIKeySZIQKYLKJGXBPC-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.72
Rot. Bonds2

About 2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide

2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide (PubChem CID 164901783) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
PubChem CID164901783
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
SMILESCC12CCN(CC1)C(CNC(=O)C(F)(F)F)C2=O
InChIInChI=1S/C11H15F3N2O2/c1-10-2-4-16(5-3-10)7(8(10)17)6-15-9(18)11(12,13)14/h7H,2-6H2,1H3,(H,15,18)
InChIKeySZIQKYLKJGXBPC-UHFFFAOYSA-N
XLogP0.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide (CID 164901783) is 2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide is CC12CCN(CC1)C(CNC(=O)C(F)(F)F)C2=O.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The InChIKey is SZIQKYLKJGXBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-10-2-4-16(5-3-10)7(8(10)17)6-15-9(18)11(12,13)14/h7H,2-6H2,1H3,(H,15,18).
What are the key properties of 2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide has a molecular weight of 264.25 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide is sourced from PubChem (CID 164901783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).