3-fluoro-N'-hydroxy-4-[hydroxy(methoxy)methyl]benzenecarboximidamide

C9H11FN2O3 — CID 135245992

IUPAC3-fluoro-N'-hydroxy-4-[hydroxy(methoxy)methyl]benzenecarboximidamide
SMILESCOC(O)c1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C9H11FN2O3/c1-15-9(13)6-3-2-5(4-7(6)10)8(11)12-14/h2-4,9,13-14H,1H3,(H2,11,12)
InChIKeyHOEYLJKHJZBBPD-UHFFFAOYSA-N
MW214.20 g/mol
LogP0.56
Rot. Bonds3

About 3-fluoro-N'-hydroxy-4-[hydroxy(methoxy)methyl]benzenecarboximidamide

3-fluoro-N'-hydroxy-4-[hydroxy(methoxy)methyl]benzenecarboximidamide (PubChem CID 135245992) has the molecular formula C9H11FN2O3 and a molecular weight of 214.20 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-[hydroxy(methoxy)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-[hydroxy(methoxy)methyl]benzenecarboximidamide
PubChem CID135245992
Molecular FormulaC9H11FN2O3
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Name3-fluoro-N'-hydroxy-4-[hydroxy(methoxy)methyl]benzenecarboximidamide
SMILESCOC(O)c1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C9H11FN2O3/c1-15-9(13)6-3-2-5(4-7(6)10)8(11)12-14/h2-4,9,13-14H,1H3,(H2,11,12)
InChIKeyHOEYLJKHJZBBPD-UHFFFAOYSA-N
XLogP0.56
TPSA88.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-[hydroxy(methoxy)methyl]benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-[hydroxy(methoxy)methyl]benzenecarboximidamide (CID 135245992) is 3-fluoro-N'-hydroxy-4-[hydroxy(methoxy)methyl]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-[hydroxy(methoxy)methyl]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-[hydroxy(methoxy)methyl]benzenecarboximidamide is COC(O)c1ccc(/C(N)=N/O)cc1F.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-[hydroxy(methoxy)methyl]benzenecarboximidamide?
The InChIKey is HOEYLJKHJZBBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3/c1-15-9(13)6-3-2-5(4-7(6)10)8(11)12-14/h2-4,9,13-14H,1H3,(H2,11,12).
What are the key properties of 3-fluoro-N'-hydroxy-4-[hydroxy(methoxy)methyl]benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-[hydroxy(methoxy)methyl]benzenecarboximidamide has a molecular weight of 214.20 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-[hydroxy(methoxy)methyl]benzenecarboximidamide is sourced from PubChem (CID 135245992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).