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

C10H15F4N3O2 — CID 103472978

IUPACN-ethyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCNCCc1nc(COCC(F)(F)C(F)F)no1
InChIInChI=1S/C10H15F4N3O2/c1-2-15-4-3-8-16-7(17-19-8)5-18-6-10(13,14)9(11)12/h9,15H,2-6H2,1H3
InChIKeyLQZOZUGLDJFORG-UHFFFAOYSA-N
MW285.24 g/mol
LogP1.64
Rot. Bonds9

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

N-ethyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 103472978) has the molecular formula C10H15F4N3O2 and a molecular weight of 285.24 g/mol. Its IUPAC name is N-ethyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID103472978
Molecular FormulaC10H15F4N3O2
Molecular Weight285.24 g/mol
Exact Mass285.11
IUPAC NameN-ethyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCNCCc1nc(COCC(F)(F)C(F)F)no1
InChIInChI=1S/C10H15F4N3O2/c1-2-15-4-3-8-16-7(17-19-8)5-18-6-10(13,14)9(11)12/h9,15H,2-6H2,1H3
InChIKeyLQZOZUGLDJFORG-UHFFFAOYSA-N
XLogP1.64
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 103472978) is N-ethyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine is CCNCCc1nc(COCC(F)(F)C(F)F)no1.
What is the InChIKey of N-ethyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is LQZOZUGLDJFORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F4N3O2/c1-2-15-4-3-8-16-7(17-19-8)5-18-6-10(13,14)9(11)12/h9,15H,2-6H2,1H3.
What are the key properties of N-ethyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
N-ethyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 285.24 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 103472978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).