5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-amine

C5H6F3N3O2 — CID 103211788

IUPAC5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(COCC(F)(F)F)n1
InChIInChI=1S/C5H6F3N3O2/c6-5(7,8)2-12-1-3-10-4(9)11-13-3/h1-2H2,(H2,9,11)
InChIKeyTYAUUTFYCWKXEM-UHFFFAOYSA-N
MW197.12 g/mol
LogP0.73
Rot. Bonds3

About 5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-amine

5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-amine (PubChem CID 103211788) has the molecular formula C5H6F3N3O2 and a molecular weight of 197.12 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-amine
PubChem CID103211788
Molecular FormulaC5H6F3N3O2
Molecular Weight197.12 g/mol
Exact Mass197.04
IUPAC Name5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(COCC(F)(F)F)n1
InChIInChI=1S/C5H6F3N3O2/c6-5(7,8)2-12-1-3-10-4(9)11-13-3/h1-2H2,(H2,9,11)
InChIKeyTYAUUTFYCWKXEM-UHFFFAOYSA-N
XLogP0.73
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.12
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 82008295
[5-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 103208664
[5-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 103211712
3-Bromo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103211792
3-Chloro-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103211796
3-Iodo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103211800
O-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 103472753
O-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 103473108
2-[[3-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 113526582
O-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 116286111
5-(Methoxymethyl)-1,2,4-oxadiazol-3-amine
CID 51000339
3-Iodo-5-(methoxymethyl)-1,2,4-oxadiazole
CID 112572172

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-amine (CID 103211788) is 5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-amine is Nc1noc(COCC(F)(F)F)n1.
What is the InChIKey of 5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is TYAUUTFYCWKXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O2/c6-5(7,8)2-12-1-3-10-4(9)11-13-3/h1-2H2,(H2,9,11).
What are the key properties of 5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-amine?
5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 197.12 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 103211788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).