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

C10H15F3N2O2 — CID 79079805

IUPAC1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CC2CCC(C1)O2
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)6-14-3-9(16)15-4-7-1-2-8(5-15)17-7/h7-8,14H,1-6H2
InChIKeyAVQLAAGOOIDSPK-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.53
Rot. Bonds3

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

1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 79079805) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID79079805
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CC2CCC(C1)O2
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)6-14-3-9(16)15-4-7-1-2-8(5-15)17-7/h7-8,14H,1-6H2
InChIKeyAVQLAAGOOIDSPK-UHFFFAOYSA-N
XLogP0.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanone (CID 79079805) is 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanone is O=C(CNCC(F)(F)F)N1CC2CCC(C1)O2.
What is the InChIKey of 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is AVQLAAGOOIDSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c11-10(12,13)6-14-3-9(16)15-4-7-1-2-8(5-15)17-7/h7-8,14H,1-6H2.
What are the key properties of 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 252.24 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 79079805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).