3-fluoro-4-(methoxymethyl)benzenecarboximidamide

C9H11FN2O — CID 24690922

IUPAC3-fluoro-4-(methoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COC)c(F)c1
InChIInChI=1S/C9H11FN2O/c1-13-5-7-3-2-6(9(11)12)4-8(7)10/h2-4H,5H2,1H3,(H3,11,12)
InChIKeyLPUVUGYESIQFFX-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.26
Rot. Bonds3

About 3-fluoro-4-(methoxymethyl)benzenecarboximidamide

3-fluoro-4-(methoxymethyl)benzenecarboximidamide (PubChem CID 24690922) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 3-fluoro-4-(methoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-(methoxymethyl)benzenecarboximidamide
PubChem CID24690922
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name3-fluoro-4-(methoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COC)c(F)c1
InChIInChI=1S/C9H11FN2O/c1-13-5-7-3-2-6(9(11)12)4-8(7)10/h2-4H,5H2,1H3,(H3,11,12)
InChIKeyLPUVUGYESIQFFX-UHFFFAOYSA-N
XLogP1.26
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.26
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(methoxymethyl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-(methoxymethyl)benzenecarboximidamide (CID 24690922) is 3-fluoro-4-(methoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-(methoxymethyl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-(methoxymethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(COC)c(F)c1.
What is the InChIKey of 3-fluoro-4-(methoxymethyl)benzenecarboximidamide?
The InChIKey is LPUVUGYESIQFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-13-5-7-3-2-6(9(11)12)4-8(7)10/h2-4H,5H2,1H3,(H3,11,12).
What are the key properties of 3-fluoro-4-(methoxymethyl)benzenecarboximidamide?
3-fluoro-4-(methoxymethyl)benzenecarboximidamide has a molecular weight of 182.20 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(methoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 24690922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).