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

C9H13F4N3O2 — CID 103473082

IUPACN-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNCCc1nc(COCC(F)(F)C(F)F)no1
InChIInChI=1S/C9H13F4N3O2/c1-14-3-2-7-15-6(16-18-7)4-17-5-9(12,13)8(10)11/h8,14H,2-5H2,1H3
InChIKeyWEJFKJHZZSKEND-UHFFFAOYSA-N
MW271.21 g/mol
LogP1.25
Rot. Bonds8

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

N-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 103473082) has the molecular formula C9H13F4N3O2 and a molecular weight of 271.21 g/mol. Its IUPAC name is N-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID103473082
Molecular FormulaC9H13F4N3O2
Molecular Weight271.21 g/mol
Exact Mass271.09
IUPAC NameN-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNCCc1nc(COCC(F)(F)C(F)F)no1
InChIInChI=1S/C9H13F4N3O2/c1-14-3-2-7-15-6(16-18-7)4-17-5-9(12,13)8(10)11/h8,14H,2-5H2,1H3
InChIKeyWEJFKJHZZSKEND-UHFFFAOYSA-N
XLogP1.25
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 103473082) is N-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine is CNCCc1nc(COCC(F)(F)C(F)F)no1.
What is the InChIKey of N-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is WEJFKJHZZSKEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4N3O2/c1-14-3-2-7-15-6(16-18-7)4-17-5-9(12,13)8(10)11/h8,14H,2-5H2,1H3.
What are the key properties of N-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
N-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 271.21 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 103473082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).