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

C7H9F4N3O3 — CID 103473108

IUPACO-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
SMILESNOCc1nc(COCC(F)(F)C(F)F)no1
InChIInChI=1S/C7H9F4N3O3/c8-6(9)7(10,11)3-15-1-4-13-5(2-16-12)17-14-4/h6H,1-3,12H2
InChIKeyPTNCVCMRCQGYCE-UHFFFAOYSA-N
MW259.16 g/mol
LogP0.88
Rot. Bonds7

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

O-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine (PubChem CID 103473108) has the molecular formula C7H9F4N3O3 and a molecular weight of 259.16 g/mol. Its IUPAC name is O-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
PubChem CID103473108
Molecular FormulaC7H9F4N3O3
Molecular Weight259.16 g/mol
Exact Mass259.06
IUPAC NameO-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
SMILESNOCc1nc(COCC(F)(F)C(F)F)no1
InChIInChI=1S/C7H9F4N3O3/c8-6(9)7(10,11)3-15-1-4-13-5(2-16-12)17-14-4/h6H,1-3,12H2
InChIKeyPTNCVCMRCQGYCE-UHFFFAOYSA-N
XLogP0.88
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', '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
5-(Fluoromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole
CID 139835743
[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
2-[[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 82008295

Frequently Asked Questions

What is the IUPAC name of O-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine?
The IUPAC name of O-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine (CID 103473108) is O-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine.
What is the SMILES notation for O-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine?
The canonical SMILES for O-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine is NOCc1nc(COCC(F)(F)C(F)F)no1.
What is the InChIKey of O-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine?
The InChIKey is PTNCVCMRCQGYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4N3O3/c8-6(9)7(10,11)3-15-1-4-13-5(2-16-12)17-14-4/h6H,1-3,12H2.
What are the key properties of O-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine?
O-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine has a molecular weight of 259.16 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine is sourced from PubChem (CID 103473108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).