1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine

C8H12F3N3O2 — CID 104879987

IUPAC1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCC(N)c1noc(COCC(F)(F)F)n1
InChIInChI=1S/C8H12F3N3O2/c1-2-5(12)7-13-6(16-14-7)3-15-4-8(9,10)11/h5H,2-4,12H2,1H3
InChIKeyZEFSQVHJKBEHNG-UHFFFAOYSA-N
MW239.20 g/mol
LogP1.56
Rot. Bonds5

About 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine

1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 104879987) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID104879987
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC Name1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCC(N)c1noc(COCC(F)(F)F)n1
InChIInChI=1S/C8H12F3N3O2/c1-2-5(12)7-13-6(16-14-7)3-15-4-8(9,10)11/h5H,2-4,12H2,1H3
InChIKeyZEFSQVHJKBEHNG-UHFFFAOYSA-N
XLogP1.56
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N',N'-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 103211824
1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 103212032
2-propan-2-yloxy-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 103211816
1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325212
2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633189
1-propoxy-2-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 103211847
1-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104880073
O-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 103472753
(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 93243352
2-methyl-3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104880602
1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 113435486
1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 103211739

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 104879987) is 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CCC(N)c1noc(COCC(F)(F)F)n1.
What is the InChIKey of 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is ZEFSQVHJKBEHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c1-2-5(12)7-13-6(16-14-7)3-15-4-8(9,10)11/h5H,2-4,12H2,1H3.
What are the key properties of 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 239.20 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 104879987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).