[(2-fluorophenyl)-hydroxymethylidene]-methylazanium

C8H9FNO+ — CID 142406663

IUPAC[(2-fluorophenyl)-hydroxymethylidene]-methylazanium
SMILESC/[NH+]=C(\O)c1ccccc1F
InChIInChI=1S/C8H8FNO/c1-10-8(11)6-4-2-3-5-7(6)9/h2-5H,1H3,(H,10,11)/p+1
InChIKeyNAGFMACWWJYORB-UHFFFAOYSA-O
MW154.16 g/mol
LogP-0.16
Rot. Bonds1

About [(2-fluorophenyl)-hydroxymethylidene]-methylazanium

[(2-fluorophenyl)-hydroxymethylidene]-methylazanium (PubChem CID 142406663) has the molecular formula C8H9FNO+ and a molecular weight of 154.16 g/mol. Its IUPAC name is [(2-fluorophenyl)-hydroxymethylidene]-methylazanium.

Molecular Properties

Compound Name[(2-fluorophenyl)-hydroxymethylidene]-methylazanium
PubChem CID142406663
Molecular FormulaC8H9FNO+
Molecular Weight154.16 g/mol
Exact Mass154.07
IUPAC Name[(2-fluorophenyl)-hydroxymethylidene]-methylazanium
SMILESC/[NH+]=C(\O)c1ccccc1F
InChIInChI=1S/C8H8FNO/c1-10-8(11)6-4-2-3-5-7(6)9/h2-5H,1H3,(H,10,11)/p+1
InChIKeyNAGFMACWWJYORB-UHFFFAOYSA-O
XLogP-0.16
TPSA34.20 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2-fluorophenyl)-hydroxymethylidene]-methylazanium?
The IUPAC name of [(2-fluorophenyl)-hydroxymethylidene]-methylazanium (CID 142406663) is [(2-fluorophenyl)-hydroxymethylidene]-methylazanium.
What is the SMILES notation for [(2-fluorophenyl)-hydroxymethylidene]-methylazanium?
The canonical SMILES for [(2-fluorophenyl)-hydroxymethylidene]-methylazanium is C/[NH+]=C(\O)c1ccccc1F.
What is the InChIKey of [(2-fluorophenyl)-hydroxymethylidene]-methylazanium?
The InChIKey is NAGFMACWWJYORB-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H8FNO/c1-10-8(11)6-4-2-3-5-7(6)9/h2-5H,1H3,(H,10,11)/p+1.
What are the key properties of [(2-fluorophenyl)-hydroxymethylidene]-methylazanium?
[(2-fluorophenyl)-hydroxymethylidene]-methylazanium has a molecular weight of 154.16 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-fluorophenyl)-hydroxymethylidene]-methylazanium is sourced from PubChem (CID 142406663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).