3-fluoro-N'-hydroxy-4-(methoxymethyl)benzenecarboximidamide

C9H11FN2O2 — CID 24692991

IUPAC3-fluoro-N'-hydroxy-4-(methoxymethyl)benzenecarboximidamide
SMILESCOCc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C9H11FN2O2/c1-14-5-7-3-2-6(4-8(7)10)9(11)12-13/h2-4,13H,5H2,1H3,(H2,11,12)
InChIKeyODUGIFNUEBNGJE-UHFFFAOYSA-N
MW198.20 g/mol
LogP1.07
Rot. Bonds3

About 3-fluoro-N'-hydroxy-4-(methoxymethyl)benzenecarboximidamide

3-fluoro-N'-hydroxy-4-(methoxymethyl)benzenecarboximidamide (PubChem CID 24692991) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-(methoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-(methoxymethyl)benzenecarboximidamide
PubChem CID24692991
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name3-fluoro-N'-hydroxy-4-(methoxymethyl)benzenecarboximidamide
SMILESCOCc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C9H11FN2O2/c1-14-5-7-3-2-6(4-8(7)10)9(11)12-13/h2-4,13H,5H2,1H3,(H2,11,12)
InChIKeyODUGIFNUEBNGJE-UHFFFAOYSA-N
XLogP1.07
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.07
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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-(methoxymethyl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-(methoxymethyl)benzenecarboximidamide (CID 24692991) is 3-fluoro-N'-hydroxy-4-(methoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-(methoxymethyl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-(methoxymethyl)benzenecarboximidamide is COCc1ccc(/C(N)=N/O)cc1F.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-(methoxymethyl)benzenecarboximidamide?
The InChIKey is ODUGIFNUEBNGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-14-5-7-3-2-6(4-8(7)10)9(11)12-13/h2-4,13H,5H2,1H3,(H2,11,12).
What are the key properties of 3-fluoro-N'-hydroxy-4-(methoxymethyl)benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-(methoxymethyl)benzenecarboximidamide has a molecular weight of 198.20 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-(methoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 24692991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).