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

C8H12F3N3O — CID 83959805

IUPACN-ethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCCN(CC)Cc1nc(C(F)(F)F)no1
InChIInChI=1S/C8H12F3N3O/c1-3-14(4-2)5-6-12-7(13-15-6)8(9,10)11/h3-5H2,1-2H3
InChIKeyYEXBCUXJDSKSRF-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.93
Rot. Bonds4

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

N-ethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 83959805) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is N-ethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID83959805
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC NameN-ethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCCN(CC)Cc1nc(C(F)(F)F)no1
InChIInChI=1S/C8H12F3N3O/c1-3-14(4-2)5-6-12-7(13-15-6)8(9,10)11/h3-5H2,1-2H3
InChIKeyYEXBCUXJDSKSRF-UHFFFAOYSA-N
XLogP1.93
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 83959805) is N-ethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is CCN(CC)Cc1nc(C(F)(F)F)no1.
What is the InChIKey of N-ethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is YEXBCUXJDSKSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-3-14(4-2)5-6-12-7(13-15-6)8(9,10)11/h3-5H2,1-2H3.
What are the key properties of N-ethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
N-ethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 223.20 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 83959805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).