2,2,2-trifluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide

C11H17F3N2O — CID 62728788

IUPAC2,2,2-trifluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide
SMILESCN1C2CCC1CC(CNC(=O)C(F)(F)F)C2
InChIInChI=1S/C11H17F3N2O/c1-16-8-2-3-9(16)5-7(4-8)6-15-10(17)11(12,13)14/h7-9H,2-6H2,1H3,(H,15,17)
InChIKeySBPOULKRBBRADK-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.54
Rot. Bonds2

About 2,2,2-trifluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide

2,2,2-trifluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide (PubChem CID 62728788) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide
PubChem CID62728788
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2,2,2-trifluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide
SMILESCN1C2CCC1CC(CNC(=O)C(F)(F)F)C2
InChIInChI=1S/C11H17F3N2O/c1-16-8-2-3-9(16)5-7(4-8)6-15-10(17)11(12,13)14/h7-9H,2-6H2,1H3,(H,15,17)
InChIKeySBPOULKRBBRADK-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide (CID 62728788) is 2,2,2-trifluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide is CN1C2CCC1CC(CNC(=O)C(F)(F)F)C2.
What is the InChIKey of 2,2,2-trifluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide?
The InChIKey is SBPOULKRBBRADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-16-8-2-3-9(16)5-7(4-8)6-15-10(17)11(12,13)14/h7-9H,2-6H2,1H3,(H,15,17).
What are the key properties of 2,2,2-trifluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide has a molecular weight of 250.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide is sourced from PubChem (CID 62728788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).