O-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine

C6H8F3N3O3 — CID 103472753

IUPACO-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
SMILESNOCc1nc(COCC(F)(F)F)no1
InChIInChI=1S/C6H8F3N3O3/c7-6(8,9)3-13-1-4-11-5(2-14-10)15-12-4/h1-3,10H2
InChIKeyIHQUSYGOSJOTTR-UHFFFAOYSA-N
MW227.14 g/mol
LogP0.54
Rot. Bonds5

About O-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine

O-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine (PubChem CID 103472753) has the molecular formula C6H8F3N3O3 and a molecular weight of 227.14 g/mol. Its IUPAC name is O-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
PubChem CID103472753
Molecular FormulaC6H8F3N3O3
Molecular Weight227.14 g/mol
Exact Mass227.05
IUPAC NameO-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
SMILESNOCc1nc(COCC(F)(F)F)no1
InChIInChI=1S/C6H8F3N3O3/c7-6(8,9)3-13-1-4-11-5(2-14-10)15-12-4/h1-3,10H2
InChIKeyIHQUSYGOSJOTTR-UHFFFAOYSA-N
XLogP0.54
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine?
The IUPAC name of O-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine (CID 103472753) is O-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine.
What is the SMILES notation for O-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine?
The canonical SMILES for O-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine is NOCc1nc(COCC(F)(F)F)no1.
What is the InChIKey of O-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine?
The InChIKey is IHQUSYGOSJOTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O3/c7-6(8,9)3-13-1-4-11-5(2-14-10)15-12-4/h1-3,10H2.
What are the key properties of O-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine?
O-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine has a molecular weight of 227.14 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine is sourced from PubChem (CID 103472753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).