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

C8H9FN2O — CID 2737375

IUPAC3-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(C(N)=NO)cc1F
InChIInChI=1S/C8H9FN2O/c1-5-2-3-6(4-7(5)9)8(10)11-12/h2-4,12H,1H3,(H2,10,11)
InChIKeyRCNTZYAQXVFCBQ-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.23
Rot. Bonds1

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

3-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide (PubChem CID 2737375) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide
PubChem CID2737375
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Name3-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(C(N)=NO)cc1F
InChIInChI=1S/C8H9FN2O/c1-5-2-3-6(4-7(5)9)8(10)11-12/h2-4,12H,1H3,(H2,10,11)
InChIKeyRCNTZYAQXVFCBQ-UHFFFAOYSA-N
XLogP1.23
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methylbenzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide (CID 2737375) is 3-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide is Cc1ccc(C(N)=NO)cc1F.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide?
The InChIKey is RCNTZYAQXVFCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O/c1-5-2-3-6(4-7(5)9)8(10)11-12/h2-4,12H,1H3,(H2,10,11).
What are the key properties of 3-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide?
3-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide has a molecular weight of 168.17 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide is sourced from PubChem (CID 2737375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).