2-(2-bromo-4-fluorophenoxy)-N'-hydroxyethanimidamide

C8H8BrFN2O2 — CID 24705176

IUPAC2-(2-bromo-4-fluorophenoxy)-N'-hydroxyethanimidamide
SMILESN/C(COc1ccc(F)cc1Br)=N\O
InChIInChI=1S/C8H8BrFN2O2/c9-6-3-5(10)1-2-7(6)14-4-8(11)12-13/h1-3,13H,4H2,(H2,11,12)
InChIKeyAJKBMJNGDAQAFO-UHFFFAOYSA-N
MW263.07 g/mol
LogP1.71
Rot. Bonds3

About 2-(2-bromo-4-fluorophenoxy)-N'-hydroxyethanimidamide

2-(2-bromo-4-fluorophenoxy)-N'-hydroxyethanimidamide (PubChem CID 24705176) has the molecular formula C8H8BrFN2O2 and a molecular weight of 263.07 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N'-hydroxyethanimidamide
PubChem CID24705176
Molecular FormulaC8H8BrFN2O2
Molecular Weight263.07 g/mol
Exact Mass261.98
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N'-hydroxyethanimidamide
SMILESN/C(COc1ccc(F)cc1Br)=N\O
InChIInChI=1S/C8H8BrFN2O2/c9-6-3-5(10)1-2-7(6)14-4-8(11)12-13/h1-3,13H,4H2,(H2,11,12)
InChIKeyAJKBMJNGDAQAFO-UHFFFAOYSA-N
XLogP1.71
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.07
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

3-(2-bromo-4-fluorophenoxy)-N'-hydroxypropanimidamide
CID 24694064
2-(2,4-dibromophenoxy)-N'-hydroxyethanimidamide
CID 76874127
3-(2-bromo-4-fluorophenoxy)-N'-hydroxypentanimidamide
CID 43368616
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide
CID 8807860
2-bromo-1-(2,3-dichloroprop-2-enoxy)-4-fluorobenzene
CID 79168336
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328
2-(2-bromo-4-fluorophenoxy)ethanamine
CID 22688771
[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525758
propyl 2-(2-bromo-4-fluorophenoxy)acetate
CID 78907900
methyl 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]propanoate
CID 60637998
1-(2-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one
CID 62031562
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-propan-2-ylamino]acetamide
CID 7997320

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N'-hydroxyethanimidamide (CID 24705176) is 2-(2-bromo-4-fluorophenoxy)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N'-hydroxyethanimidamide is N/C(COc1ccc(F)cc1Br)=N\O.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N'-hydroxyethanimidamide?
The InChIKey is AJKBMJNGDAQAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN2O2/c9-6-3-5(10)1-2-7(6)14-4-8(11)12-13/h1-3,13H,4H2,(H2,11,12).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N'-hydroxyethanimidamide?
2-(2-bromo-4-fluorophenoxy)-N'-hydroxyethanimidamide has a molecular weight of 263.07 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N'-hydroxyethanimidamide is sourced from PubChem (CID 24705176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).