3-fluoro-4-formyl-N-hydroxy-N'-methylbenzenecarboximidamide

C9H9FN2O2 — CID 138612158

IUPAC3-fluoro-4-formyl-N-hydroxy-N'-methylbenzenecarboximidamide
SMILESC/N=C(\NO)c1ccc(C=O)c(F)c1
InChIInChI=1S/C9H9FN2O2/c1-11-9(12-14)6-2-3-7(5-13)8(10)4-6/h2-5,14H,1H3,(H,11,12)
InChIKeyOWDHGNHXMOFXDW-UHFFFAOYSA-N
MW196.18 g/mol
LogP0.99
Rot. Bonds2

About 3-fluoro-4-formyl-N-hydroxy-N'-methylbenzenecarboximidamide

3-fluoro-4-formyl-N-hydroxy-N'-methylbenzenecarboximidamide (PubChem CID 138612158) has the molecular formula C9H9FN2O2 and a molecular weight of 196.18 g/mol. Its IUPAC name is 3-fluoro-4-formyl-N-hydroxy-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-formyl-N-hydroxy-N'-methylbenzenecarboximidamide
PubChem CID138612158
Molecular FormulaC9H9FN2O2
Molecular Weight196.18 g/mol
Exact Mass196.06
IUPAC Name3-fluoro-4-formyl-N-hydroxy-N'-methylbenzenecarboximidamide
SMILESC/N=C(\NO)c1ccc(C=O)c(F)c1
InChIInChI=1S/C9H9FN2O2/c1-11-9(12-14)6-2-3-7(5-13)8(10)4-6/h2-5,14H,1H3,(H,11,12)
InChIKeyOWDHGNHXMOFXDW-UHFFFAOYSA-N
XLogP0.99
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-4-formyl-N-hydroxy-N'-methylbenzenecarboximidamide?
The IUPAC name of 3-fluoro-4-formyl-N-hydroxy-N'-methylbenzenecarboximidamide (CID 138612158) is 3-fluoro-4-formyl-N-hydroxy-N'-methylbenzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-formyl-N-hydroxy-N'-methylbenzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-formyl-N-hydroxy-N'-methylbenzenecarboximidamide is C/N=C(\NO)c1ccc(C=O)c(F)c1.
What is the InChIKey of 3-fluoro-4-formyl-N-hydroxy-N'-methylbenzenecarboximidamide?
The InChIKey is OWDHGNHXMOFXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O2/c1-11-9(12-14)6-2-3-7(5-13)8(10)4-6/h2-5,14H,1H3,(H,11,12).
What are the key properties of 3-fluoro-4-formyl-N-hydroxy-N'-methylbenzenecarboximidamide?
3-fluoro-4-formyl-N-hydroxy-N'-methylbenzenecarboximidamide has a molecular weight of 196.18 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-formyl-N-hydroxy-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 138612158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).