1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine

C9H12F5N3O2 — CID 104634696

IUPAC1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)c1noc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C9H12F5N3O2/c1-4(2)18-3-5(15)6-16-7(19-17-6)8(10,11)9(12,13)14/h4-5H,3,15H2,1-2H3
InChIKeyNFQGITKMSDXWPJ-UHFFFAOYSA-N
MW289.20 g/mol
LogP2.15
Rot. Bonds5

About 1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine

1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine (PubChem CID 104634696) has the molecular formula C9H12F5N3O2 and a molecular weight of 289.20 g/mol. Its IUPAC name is 1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
PubChem CID104634696
Molecular FormulaC9H12F5N3O2
Molecular Weight289.20 g/mol
Exact Mass289.08
IUPAC Name1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)c1noc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C9H12F5N3O2/c1-4(2)18-3-5(15)6-16-7(19-17-6)8(10,11)9(12,13)14/h4-5H,3,15H2,1-2H3
InChIKeyNFQGITKMSDXWPJ-UHFFFAOYSA-N
XLogP2.15
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634387
1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 103022287
2-propan-2-yloxy-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 103211816
1-[5-(1-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634646
2-propoxy-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634345
2-propan-2-yloxy-1-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634539
2-morpholin-4-yl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104636187
1-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634574
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634511
1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)-2-propan-2-yloxyethanamine
CID 104634631
1-[5-(6-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634579
2-amino-2-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 130605155

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
The IUPAC name of 1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine (CID 104634696) is 1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine is CC(C)OCC(N)c1noc(C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
The InChIKey is NFQGITKMSDXWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F5N3O2/c1-4(2)18-3-5(15)6-16-7(19-17-6)8(10,11)9(12,13)14/h4-5H,3,15H2,1-2H3.
What are the key properties of 1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine has a molecular weight of 289.20 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine is sourced from PubChem (CID 104634696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).