2-fluoro-3-(furan-2-ylmethoxymethyl)-N'-hydroxybenzenecarboximidamide

C13H13FN2O3 — CID 107117587

IUPAC2-fluoro-3-(furan-2-ylmethoxymethyl)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cccc(COCc2ccco2)c1F
InChIInChI=1S/C13H13FN2O3/c14-12-9(3-1-5-11(12)13(15)16-17)7-18-8-10-4-2-6-19-10/h1-6,17H,7-8H2,(H2,15,16)
InChIKeyLOIYWYBWOSNCRH-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.23
Rot. Bonds5

About 2-fluoro-3-(furan-2-ylmethoxymethyl)-N'-hydroxybenzenecarboximidamide

2-fluoro-3-(furan-2-ylmethoxymethyl)-N'-hydroxybenzenecarboximidamide (PubChem CID 107117587) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-fluoro-3-(furan-2-ylmethoxymethyl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-3-(furan-2-ylmethoxymethyl)-N'-hydroxybenzenecarboximidamide
PubChem CID107117587
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name2-fluoro-3-(furan-2-ylmethoxymethyl)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cccc(COCc2ccco2)c1F
InChIInChI=1S/C13H13FN2O3/c14-12-9(3-1-5-11(12)13(15)16-17)7-18-8-10-4-2-6-19-10/h1-6,17H,7-8H2,(H2,15,16)
InChIKeyLOIYWYBWOSNCRH-UHFFFAOYSA-N
XLogP2.23
TPSA80.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-fluoro-3-[[2-(furan-2-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 107116987
2-fluoro-N'-hydroxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzenecarboximidamide
CID 107117708
2-fluoro-3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 107117299
2-[(2-fluorophenyl)methoxymethyl]furan
CID 70570025
3-[(2,3-difluorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117654
5-(furan-2-ylmethoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77066161
3-[(2-chlorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117566
3-(furan-2-ylmethoxymethyl)-2-methylaniline
CID 43509271
3-[(2,3-dimethylphenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117609
2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide
CID 107116628
2-fluoro-N'-hydroxy-3-[(3-methoxycyclohexyl)oxymethyl]benzenecarboximidamide
CID 107117665
2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 107117672

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(furan-2-ylmethoxymethyl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-fluoro-3-(furan-2-ylmethoxymethyl)-N'-hydroxybenzenecarboximidamide (CID 107117587) is 2-fluoro-3-(furan-2-ylmethoxymethyl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-fluoro-3-(furan-2-ylmethoxymethyl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-fluoro-3-(furan-2-ylmethoxymethyl)-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1cccc(COCc2ccco2)c1F.
What is the InChIKey of 2-fluoro-3-(furan-2-ylmethoxymethyl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is LOIYWYBWOSNCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c14-12-9(3-1-5-11(12)13(15)16-17)7-18-8-10-4-2-6-19-10/h1-6,17H,7-8H2,(H2,15,16).
What are the key properties of 2-fluoro-3-(furan-2-ylmethoxymethyl)-N'-hydroxybenzenecarboximidamide?
2-fluoro-3-(furan-2-ylmethoxymethyl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 264.26 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(furan-2-ylmethoxymethyl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107117587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).