2-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxybutanimidamide

C10H11F2N3O4 — CID 55217418

IUPAC2-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxybutanimidamide
SMILESCCC(Oc1cc(F)c([N+](=O)[O-])cc1F)/C(N)=N/O
InChIInChI=1S/C10H11F2N3O4/c1-2-8(10(13)14-16)19-9-4-5(11)7(15(17)18)3-6(9)12/h3-4,8,16H,2H2,1H3,(H2,13,14)
InChIKeyRMVHIDUXGIKBTD-UHFFFAOYSA-N
MW275.21 g/mol
LogP1.78
Rot. Bonds5

About 2-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxybutanimidamide

2-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxybutanimidamide (PubChem CID 55217418) has the molecular formula C10H11F2N3O4 and a molecular weight of 275.21 g/mol. Its IUPAC name is 2-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxybutanimidamide
PubChem CID55217418
Molecular FormulaC10H11F2N3O4
Molecular Weight275.21 g/mol
Exact Mass275.07
IUPAC Name2-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxybutanimidamide
SMILESCCC(Oc1cc(F)c([N+](=O)[O-])cc1F)/C(N)=N/O
InChIInChI=1S/C10H11F2N3O4/c1-2-8(10(13)14-16)19-9-4-5(11)7(15(17)18)3-6(9)12/h3-4,8,16H,2H2,1H3,(H2,13,14)
InChIKeyRMVHIDUXGIKBTD-UHFFFAOYSA-N
XLogP1.78
TPSA110.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-difluoro-4-nitrophenoxy)butanimidamide
CID 55217610
2-(2,5-dimethyl-4-nitrophenoxy)-N'-hydroxybutanimidamide
CID 76988070
3-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxypropanimidamide
CID 77002379
4-(2,5-difluoro-4-nitrophenoxy)pentan-2-one
CID 64697339
N'-hydroxy-2-(8-nitroquinolin-5-yl)oxybutanimidamide
CID 116525378
ethyl 2-amino-3-(2,5-difluoro-4-nitrophenoxy)propanoate
CID 63598668
1-[2-(bromomethyl)butoxy]-2,5-difluoro-4-nitrobenzene
CID 64995469
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
4-(2,5-difluoro-4-nitrophenoxy)-2-ethoxybutanoic acid
CID 63599027
methyl 4-(2,5-difluoro-4-nitrophenoxy)-2-(methylamino)butanoate
CID 63599736
3-(2,5-difluoro-4-nitrophenoxy)propan-1-ol
CID 63597608
4-fluoro-2-nitro-5-propan-2-yloxyaniline
CID 125493038

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxybutanimidamide (CID 55217418) is 2-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxybutanimidamide is CCC(Oc1cc(F)c([N+](=O)[O-])cc1F)/C(N)=N/O.
What is the InChIKey of 2-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxybutanimidamide?
The InChIKey is RMVHIDUXGIKBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O4/c1-2-8(10(13)14-16)19-9-4-5(11)7(15(17)18)3-6(9)12/h3-4,8,16H,2H2,1H3,(H2,13,14).
What are the key properties of 2-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxybutanimidamide?
2-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxybutanimidamide has a molecular weight of 275.21 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxybutanimidamide is sourced from PubChem (CID 55217418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).