2,2,2-trifluoro-N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

C10H14F3N3O2 — CID 79258097

IUPAC2,2,2-trifluoro-N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESFC(F)(F)CNCc1nc(CC2CCCO2)no1
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)6-14-5-9-15-8(16-18-9)4-7-2-1-3-17-7/h7,14H,1-6H2
InChIKeyVQMVASJUSOXTGV-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.44
Rot. Bonds5

About 2,2,2-trifluoro-N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

2,2,2-trifluoro-N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 79258097) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID79258097
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name2,2,2-trifluoro-N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESFC(F)(F)CNCc1nc(CC2CCCO2)no1
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)6-14-5-9-15-8(16-18-9)4-7-2-1-3-17-7/h7,14H,1-6H2
InChIKeyVQMVASJUSOXTGV-UHFFFAOYSA-N
XLogP1.44
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.44
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-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 79258097) is 2,2,2-trifluoro-N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is FC(F)(F)CNCc1nc(CC2CCCO2)no1.
What is the InChIKey of 2,2,2-trifluoro-N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is VQMVASJUSOXTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c11-10(12,13)6-14-5-9-15-8(16-18-9)4-7-2-1-3-17-7/h7,14H,1-6H2.
What are the key properties of 2,2,2-trifluoro-N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
2,2,2-trifluoro-N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 265.23 g/mol, XLogP of 1.44, 5 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-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 79258097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).