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

C10H13F3N2O2 — CID 146447244

IUPAC2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
SMILESO=C1C2CCN(CC2)C1CNC(=O)C(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)9(17)14-5-7-8(16)6-1-3-15(7)4-2-6/h6-7H,1-5H2,(H,14,17)
InChIKeyVJHMDWRCYVQQDX-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.33
Rot. Bonds2

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

2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide (PubChem CID 146447244) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
PubChem CID146447244
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
SMILESO=C1C2CCN(CC2)C1CNC(=O)C(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)9(17)14-5-7-8(16)6-1-3-15(7)4-2-6/h6-7H,1-5H2,(H,14,17)
InChIKeyVJHMDWRCYVQQDX-UHFFFAOYSA-N
XLogP0.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.33
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-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide (CID 146447244) is 2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide is O=C1C2CCN(CC2)C1CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The InChIKey is VJHMDWRCYVQQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c11-10(12,13)9(17)14-5-7-8(16)6-1-3-15(7)4-2-6/h6-7H,1-5H2,(H,14,17).
What are the key properties of 2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide has a molecular weight of 250.22 g/mol, XLogP of 0.33, 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-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide is sourced from PubChem (CID 146447244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).