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

C8H12F3N3O2 — CID 103211965

IUPACN-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(COCC(F)(F)F)o1
InChIInChI=1S/C8H12F3N3O2/c1-2-12-3-6-13-14-7(16-6)4-15-5-8(9,10)11/h12H,2-5H2,1H3
InChIKeyJRMQEHFKKPPLJP-UHFFFAOYSA-N
MW239.20 g/mol
LogP1.26
Rot. Bonds6

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

N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (PubChem CID 103211965) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
PubChem CID103211965
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC NameN-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(COCC(F)(F)F)o1
InChIInChI=1S/C8H12F3N3O2/c1-2-12-3-6-13-14-7(16-6)4-15-5-8(9,10)11/h12H,2-5H2,1H3
InChIKeyJRMQEHFKKPPLJP-UHFFFAOYSA-N
XLogP1.26
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (CID 103211965) is N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is CCNCc1nnc(COCC(F)(F)F)o1.
What is the InChIKey of N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The InChIKey is JRMQEHFKKPPLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c1-2-12-3-6-13-14-7(16-6)4-15-5-8(9,10)11/h12H,2-5H2,1H3.
What are the key properties of N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine has a molecular weight of 239.20 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 103211965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).