4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide

C13H9F3N2O2 — CID 43658337

IUPAC4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(Oc2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C13H9F3N2O2/c14-8-2-4-12(10(16)6-8)20-11-3-1-7(5-9(11)15)13(17)18-19/h1-6,19H,(H2,17,18)
InChIKeyZGCUVCGSFPOMRL-UHFFFAOYSA-N
MW282.22 g/mol
LogP2.99
Rot. Bonds3

About 4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide

4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 43658337) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID43658337
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Name4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(Oc2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C13H9F3N2O2/c14-8-2-4-12(10(16)6-8)20-11-3-1-7(5-9(11)15)13(17)18-19/h1-6,19H,(H2,17,18)
InChIKeyZGCUVCGSFPOMRL-UHFFFAOYSA-N
XLogP2.99
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 52.99
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-(2,4-difluorophenoxy)-N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide
CID 19850887
4-(2,4-difluorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658549
4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658275
3-bromo-4-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82799197
3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712561
3-fluoro-N'-hydroxy-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 43658276
3-bromo-4-(2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82800024
2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930131
4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666402
4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658351
4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81036289
3-fluoro-N',4-dihydroxybenzenecarboximidamide
CID 135741555

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 43658337) is 4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1ccc(Oc2ccc(F)cc2F)c(F)c1.
What is the InChIKey of 4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is ZGCUVCGSFPOMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-8-2-4-12(10(16)6-8)20-11-3-1-7(5-9(11)15)13(17)18-19/h1-6,19H,(H2,17,18).
What are the key properties of 4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 282.22 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43658337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).