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

C9H14F3N3O2 — CID 103212007

IUPACN-ethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(COCC(F)(F)F)o1
InChIInChI=1S/C9H14F3N3O2/c1-3-13-6(2)8-15-14-7(17-8)4-16-5-9(10,11)12/h6,13H,3-5H2,1-2H3
InChIKeyCYFFKTKPYXBDNB-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.82
Rot. Bonds6

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

N-ethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 103212007) has the molecular formula C9H14F3N3O2 and a molecular weight of 253.22 g/mol. Its IUPAC name is N-ethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID103212007
Molecular FormulaC9H14F3N3O2
Molecular Weight253.22 g/mol
Exact Mass253.10
IUPAC NameN-ethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(COCC(F)(F)F)o1
InChIInChI=1S/C9H14F3N3O2/c1-3-13-6(2)8-15-14-7(17-8)4-16-5-9(10,11)12/h6,13H,3-5H2,1-2H3
InChIKeyCYFFKTKPYXBDNB-UHFFFAOYSA-N
XLogP1.82
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 103212007) is N-ethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine is CCNC(C)c1nnc(COCC(F)(F)F)o1.
What is the InChIKey of N-ethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is CYFFKTKPYXBDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2/c1-3-13-6(2)8-15-14-7(17-8)4-16-5-9(10,11)12/h6,13H,3-5H2,1-2H3.
What are the key properties of N-ethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-ethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 253.22 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 103212007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).