N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine

C6H8F3N3O — CID 62596862

IUPACN-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine
SMILESCCNc1nc(CC(F)(F)F)no1
InChIInChI=1S/C6H8F3N3O/c1-2-10-5-11-4(12-13-5)3-6(7,8)9/h2-3H2,1H3,(H,10,11,12)
InChIKeyIXOGANBXGGLSML-UHFFFAOYSA-N
MW195.14 g/mol
LogP1.61
Rot. Bonds3

About N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine

N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 62596862) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine
PubChem CID62596862
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC NameN-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine
SMILESCCNc1nc(CC(F)(F)F)no1
InChIInChI=1S/C6H8F3N3O/c1-2-10-5-11-4(12-13-5)3-6(7,8)9/h2-3H2,1H3,(H,10,11,12)
InChIKeyIXOGANBXGGLSML-UHFFFAOYSA-N
XLogP1.61
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine (CID 62596862) is N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine is CCNc1nc(CC(F)(F)F)no1.
What is the InChIKey of N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is IXOGANBXGGLSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c1-2-10-5-11-4(12-13-5)3-6(7,8)9/h2-3H2,1H3,(H,10,11,12).
What are the key properties of N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine?
N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 195.14 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62596862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).