1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2,2,2-trifluoroethylamino)ethanone

C11H17F3N2O2 — CID 78995414

IUPAC1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1C2CCC1CC(O)C2
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)6-15-5-10(18)16-7-1-2-8(16)4-9(17)3-7/h7-9,15,17H,1-6H2
InChIKeyXEDURHDTHIUGIC-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.65
Rot. Bonds3

About 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2,2,2-trifluoroethylamino)ethanone

1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 78995414) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID78995414
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1C2CCC1CC(O)C2
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)6-15-5-10(18)16-7-1-2-8(16)4-9(17)3-7/h7-9,15,17H,1-6H2
InChIKeyXEDURHDTHIUGIC-UHFFFAOYSA-N
XLogP0.65
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2,2,2-trifluoroethylamino)ethanone (CID 78995414) is 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2,2,2-trifluoroethylamino)ethanone is O=C(CNCC(F)(F)F)N1C2CCC1CC(O)C2.
What is the InChIKey of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is XEDURHDTHIUGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c12-11(13,14)6-15-5-10(18)16-7-1-2-8(16)4-9(17)3-7/h7-9,15,17H,1-6H2.
What are the key properties of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 266.26 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 78995414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).