4-fluoro-N-(hydroxymethyl)-N-methylbenzenecarboximidamide

C9H11FN2O — CID 167046834

IUPAC4-fluoro-N-(hydroxymethyl)-N-methylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccc(F)cc1)N(C)CO
InChIInChI=1S/C9H11FN2O/c1-12(6-13)9(11)7-2-4-8(10)5-3-7/h2-5,11,13H,6H2,1H3/b11-9-
InChIKeyOQSXOIDJRWFAKN-LUAWRHEFSA-N
MW182.20 g/mol
LogP1.03
Rot. Bonds2

About 4-fluoro-N-(hydroxymethyl)-N-methylbenzenecarboximidamide

4-fluoro-N-(hydroxymethyl)-N-methylbenzenecarboximidamide (PubChem CID 167046834) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 4-fluoro-N-(hydroxymethyl)-N-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-fluoro-N-(hydroxymethyl)-N-methylbenzenecarboximidamide
PubChem CID167046834
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name4-fluoro-N-(hydroxymethyl)-N-methylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccc(F)cc1)N(C)CO
InChIInChI=1S/C9H11FN2O/c1-12(6-13)9(11)7-2-4-8(10)5-3-7/h2-5,11,13H,6H2,1H3/b11-9-
InChIKeyOQSXOIDJRWFAKN-LUAWRHEFSA-N
XLogP1.03
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 4-fluoro-N-(hydroxymethyl)-N-methylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(hydroxymethyl)-N-methylbenzenecarboximidamide?
The IUPAC name of 4-fluoro-N-(hydroxymethyl)-N-methylbenzenecarboximidamide (CID 167046834) is 4-fluoro-N-(hydroxymethyl)-N-methylbenzenecarboximidamide.
What is the SMILES notation for 4-fluoro-N-(hydroxymethyl)-N-methylbenzenecarboximidamide?
The canonical SMILES for 4-fluoro-N-(hydroxymethyl)-N-methylbenzenecarboximidamide is [H]/N=C(/c1ccc(F)cc1)N(C)CO.
What is the InChIKey of 4-fluoro-N-(hydroxymethyl)-N-methylbenzenecarboximidamide?
The InChIKey is OQSXOIDJRWFAKN-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-12(6-13)9(11)7-2-4-8(10)5-3-7/h2-5,11,13H,6H2,1H3/b11-9-.
What are the key properties of 4-fluoro-N-(hydroxymethyl)-N-methylbenzenecarboximidamide?
4-fluoro-N-(hydroxymethyl)-N-methylbenzenecarboximidamide has a molecular weight of 182.20 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(hydroxymethyl)-N-methylbenzenecarboximidamide is sourced from PubChem (CID 167046834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).