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

C7H11F2N3O3 — CID 103146266

IUPACO-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
SMILESNOCc1nc(CCOCC(F)F)no1
InChIInChI=1S/C7H11F2N3O3/c8-5(9)3-13-2-1-6-11-7(4-14-10)15-12-6/h5H,1-4,10H2
InChIKeyJHBGKEYXBGMBNE-UHFFFAOYSA-N
MW223.18 g/mol
LogP0.28
Rot. Bonds7

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

O-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine (PubChem CID 103146266) has the molecular formula C7H11F2N3O3 and a molecular weight of 223.18 g/mol. Its IUPAC name is O-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
PubChem CID103146266
Molecular FormulaC7H11F2N3O3
Molecular Weight223.18 g/mol
Exact Mass223.08
IUPAC NameO-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
SMILESNOCc1nc(CCOCC(F)F)no1
InChIInChI=1S/C7H11F2N3O3/c8-5(9)3-13-2-1-6-11-7(4-14-10)15-12-6/h5H,1-4,10H2
InChIKeyJHBGKEYXBGMBNE-UHFFFAOYSA-N
XLogP0.28
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(1,1-Difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-1,2,4-oxadiazole
CID 58044652
3-(1,1-Difluoropropoxymethyl)-5-methyl-1,2,4-oxadiazole
CID 68081263
3-(1,1-Difluoropropoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole
CID 68081667
5-Propan-2-yl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 89981814
5-Methyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 89983913
3-(1,1-Difluoroethoxymethyl)-5-methyl-1,2,4-oxadiazole
CID 90124930
3-(1,1-Difluoroethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole
CID 90124944
3-(1,1-Difluoroethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;ethane
CID 144307300
2-[5-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61654693
[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 63757782
2-[[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 79463003
2-[[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 79953398

Frequently Asked Questions

What is the IUPAC name of O-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine?
The IUPAC name of O-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine (CID 103146266) is O-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine.
What is the SMILES notation for O-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine?
The canonical SMILES for O-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine is NOCc1nc(CCOCC(F)F)no1.
What is the InChIKey of O-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine?
The InChIKey is JHBGKEYXBGMBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O3/c8-5(9)3-13-2-1-6-11-7(4-14-10)15-12-6/h5H,1-4,10H2.
What are the key properties of O-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine?
O-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine has a molecular weight of 223.18 g/mol, XLogP of 0.28, 7 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-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine is sourced from PubChem (CID 103146266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).