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

C12H17F3N2O2 — CID 164901819

IUPAC2,2,2-trifluoro-N-methyl-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
SMILESCN(CC1C(=O)C2(C)CCN1CC2)C(=O)C(F)(F)F
InChIInChI=1S/C12H17F3N2O2/c1-11-3-5-17(6-4-11)8(9(11)18)7-16(2)10(19)12(13,14)15/h8H,3-7H2,1-2H3
InChIKeySEAWGBINFPGKLB-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.06
Rot. Bonds2

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

2,2,2-trifluoro-N-methyl-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide (PubChem CID 164901819) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
PubChem CID164901819
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name2,2,2-trifluoro-N-methyl-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
SMILESCN(CC1C(=O)C2(C)CCN1CC2)C(=O)C(F)(F)F
InChIInChI=1S/C12H17F3N2O2/c1-11-3-5-17(6-4-11)8(9(11)18)7-16(2)10(19)12(13,14)15/h8H,3-7H2,1-2H3
InChIKeySEAWGBINFPGKLB-UHFFFAOYSA-N
XLogP1.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide (CID 164901819) is 2,2,2-trifluoro-N-methyl-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-methyl-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide is CN(CC1C(=O)C2(C)CCN1CC2)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The InChIKey is SEAWGBINFPGKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-11-3-5-17(6-4-11)8(9(11)18)7-16(2)10(19)12(13,14)15/h8H,3-7H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide has a molecular weight of 278.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide is sourced from PubChem (CID 164901819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).