3-[(2,3-difluorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide

C14H11F3N2O2 — CID 107117654

IUPAC3-[(2,3-difluorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cccc(COc2cccc(F)c2F)c1F
InChIInChI=1S/C14H11F3N2O2/c15-10-5-2-6-11(13(10)17)21-7-8-3-1-4-9(12(8)16)14(18)19-20/h1-6,20H,7H2,(H2,18,19)
InChIKeyPYRXBXIWUMCONP-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.78
Rot. Bonds4

About 3-[(2,3-difluorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide

3-[(2,3-difluorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 107117654) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 3-[(2,3-difluorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[(2,3-difluorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID107117654
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name3-[(2,3-difluorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cccc(COc2cccc(F)c2F)c1F
InChIInChI=1S/C14H11F3N2O2/c15-10-5-2-6-11(13(10)17)21-7-8-3-1-4-9(12(8)16)14(18)19-20/h1-6,20H,7H2,(H2,18,19)
InChIKeyPYRXBXIWUMCONP-UHFFFAOYSA-N
XLogP2.78
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.78
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-chlorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117566
3-[(2,3-dimethylphenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117609
2-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24706233
2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 107117672
1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
CID 174920306
2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
CID 43658905
2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114849596
2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76905309
2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109832
2-fluoro-N'-hydroxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzenecarboximidamide
CID 107117708
1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
CID 107661926
2-fluoro-3-(furan-2-ylmethoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 107117587

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[(2,3-difluorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide (CID 107117654) is 3-[(2,3-difluorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[(2,3-difluorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[(2,3-difluorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1cccc(COc2cccc(F)c2F)c1F.
What is the InChIKey of 3-[(2,3-difluorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is PYRXBXIWUMCONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-10-5-2-6-11(13(10)17)21-7-8-3-1-4-9(12(8)16)14(18)19-20/h1-6,20H,7H2,(H2,18,19).
What are the key properties of 3-[(2,3-difluorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide?
3-[(2,3-difluorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 296.25 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107117654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).