2,2,2-trifluoro-N-[[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

C11H14F3N3O2 — CID 79258682

IUPAC2,2,2-trifluoro-N-[[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESFC(F)(F)CNCc1nc(C2CC3CCC2O3)no1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)5-15-4-9-16-10(17-19-9)7-3-6-1-2-8(7)18-6/h6-8,15H,1-5H2
InChIKeyLNESDKGXPYTYQO-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.76
Rot. Bonds4

About 2,2,2-trifluoro-N-[[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

2,2,2-trifluoro-N-[[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 79258682) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID79258682
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name2,2,2-trifluoro-N-[[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESFC(F)(F)CNCc1nc(C2CC3CCC2O3)no1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)5-15-4-9-16-10(17-19-9)7-3-6-1-2-8(7)18-6/h6-8,15H,1-5H2
InChIKeyLNESDKGXPYTYQO-UHFFFAOYSA-N
XLogP1.76
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 79258682) is 2,2,2-trifluoro-N-[[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is FC(F)(F)CNCc1nc(C2CC3CCC2O3)no1.
What is the InChIKey of 2,2,2-trifluoro-N-[[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is LNESDKGXPYTYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c12-11(13,14)5-15-4-9-16-10(17-19-9)7-3-6-1-2-8(7)18-6/h6-8,15H,1-5H2.
What are the key properties of 2,2,2-trifluoro-N-[[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
2,2,2-trifluoro-N-[[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 277.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 79258682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).