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

C7H10F3N3O2 — CID 103211711

IUPAC[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(CCOCC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3O2/c8-7(9,10)4-14-2-1-6-12-5(3-11)13-15-6/h1-4,11H2
InChIKeyVSDJARUTLRCTRS-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.65
Rot. Bonds5

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

[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 103211711) has the molecular formula C7H10F3N3O2 and a molecular weight of 225.17 g/mol. Its IUPAC name is [5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID103211711
Molecular FormulaC7H10F3N3O2
Molecular Weight225.17 g/mol
Exact Mass225.07
IUPAC Name[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(CCOCC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3O2/c8-7(9,10)4-14-2-1-6-12-5(3-11)13-15-6/h1-4,11H2
InChIKeyVSDJARUTLRCTRS-UHFFFAOYSA-N
XLogP0.65
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.65
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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Related Compounds

(5-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-3-yl)methanamine hydrochloride
CID 71756663
Ethyl 2-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]acetate hydrochloride
CID 145912945
1-[3-(2-Methoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 25219494
(5-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-3-yl)methanamine
CID 61326843
2-Amino-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 61392832
N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 62337503
[5-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 65714236
2,2,2-trifluoro-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79258766
2-Amino-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 79954872
2-Methoxy-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 81084381
2-Methoxy-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 81086231
3-[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 82008212

Frequently Asked Questions

What is the IUPAC name of [5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine (CID 103211711) is [5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(CCOCC(F)(F)F)n1.
What is the InChIKey of [5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is VSDJARUTLRCTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2/c8-7(9,10)4-14-2-1-6-12-5(3-11)13-15-6/h1-4,11H2.
What are the key properties of [5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine?
[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 225.17 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 103211711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).