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

C7H10F3N3O — CID 62342280

IUPACN-methyl-2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCNCCc1noc(CC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3O/c1-11-3-2-5-12-6(14-13-5)4-7(8,9)10/h11H,2-4H2,1H3
InChIKeyICLREUINMPEFHE-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.94
Rot. Bonds4

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

N-methyl-2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 62342280) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is N-methyl-2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID62342280
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC NameN-methyl-2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCNCCc1noc(CC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3O/c1-11-3-2-5-12-6(14-13-5)4-7(8,9)10/h11H,2-4H2,1H3
InChIKeyICLREUINMPEFHE-UHFFFAOYSA-N
XLogP0.94
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 62342280) is N-methyl-2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine is CNCCc1noc(CC(F)(F)F)n1.
What is the InChIKey of N-methyl-2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is ICLREUINMPEFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-11-3-2-5-12-6(14-13-5)4-7(8,9)10/h11H,2-4H2,1H3.
What are the key properties of N-methyl-2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
N-methyl-2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 209.17 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 62342280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).