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

C11H17F3N2O — CID 79607932

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)6-15-10(17)5-7-3-8-1-2-9(4-7)16-8/h7-9,16H,1-6H2,(H,15,17)
InChIKeyOOWWNFBETVTSHT-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.59
Rot. Bonds3

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 79607932) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID79607932
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)6-15-10(17)5-7-3-8-1-2-9(4-7)16-8/h7-9,16H,1-6H2,(H,15,17)
InChIKeyOOWWNFBETVTSHT-UHFFFAOYSA-N
XLogP1.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 79607932) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CC1CC2CCC(C1)N2)NCC(F)(F)F.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OOWWNFBETVTSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)6-15-10(17)5-7-3-8-1-2-9(4-7)16-8/h7-9,16H,1-6H2,(H,15,17).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 250.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 79607932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).