3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine

C11H18F3N3O2 — CID 103146149

IUPAC3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
SMILESCCC(N)(CC)c1nc(CCOCC(F)(F)F)no1
InChIInChI=1S/C11H18F3N3O2/c1-3-10(15,4-2)9-16-8(17-19-9)5-6-18-7-11(12,13)14/h3-7,15H2,1-2H3
InChIKeyCARHODHUYVOLIM-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.16
Rot. Bonds7

About 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine

3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine (PubChem CID 103146149) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
PubChem CID103146149
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
SMILESCCC(N)(CC)c1nc(CCOCC(F)(F)F)no1
InChIInChI=1S/C11H18F3N3O2/c1-3-10(15,4-2)9-16-8(17-19-9)5-6-18-7-11(12,13)14/h3-7,15H2,1-2H3
InChIKeyCARHODHUYVOLIM-UHFFFAOYSA-N
XLogP2.16
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The IUPAC name of 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine (CID 103146149) is 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine.
What is the SMILES notation for 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The canonical SMILES for 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine is CCC(N)(CC)c1nc(CCOCC(F)(F)F)no1.
What is the InChIKey of 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The InChIKey is CARHODHUYVOLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-3-10(15,4-2)9-16-8(17-19-9)5-6-18-7-11(12,13)14/h3-7,15H2,1-2H3.
What are the key properties of 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine?
3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine has a molecular weight of 281.28 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine is sourced from PubChem (CID 103146149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).