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

C8H12F3N3O — CID 62163931

IUPACN-ethyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(CC(F)(F)F)o1
InChIInChI=1S/C8H12F3N3O/c1-3-12-5(2)7-14-13-6(15-7)4-8(9,10)11/h5,12H,3-4H2,1-2H3
InChIKeyVVJAETULGHIPLL-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.84
Rot. Bonds4

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

N-ethyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 62163931) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is N-ethyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID62163931
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC NameN-ethyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(CC(F)(F)F)o1
InChIInChI=1S/C8H12F3N3O/c1-3-12-5(2)7-14-13-6(15-7)4-8(9,10)11/h5,12H,3-4H2,1-2H3
InChIKeyVVJAETULGHIPLL-UHFFFAOYSA-N
XLogP1.84
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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CID 62070080
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 62163931) is N-ethyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine is CCNC(C)c1nnc(CC(F)(F)F)o1.
What is the InChIKey of N-ethyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is VVJAETULGHIPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-3-12-5(2)7-14-13-6(15-7)4-8(9,10)11/h5,12H,3-4H2,1-2H3.
What are the key properties of N-ethyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-ethyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 223.20 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 62163931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).