4-(ethoxymethyl)-3-fluorobenzenecarboximidamide

C10H13FN2O — CID 24689913

IUPAC4-(ethoxymethyl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCC)c(F)c1
InChIInChI=1S/C10H13FN2O/c1-2-14-6-8-4-3-7(10(12)13)5-9(8)11/h3-5H,2,6H2,1H3,(H3,12,13)
InChIKeyQGFDCPSWMXFEPL-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.65
Rot. Bonds4

About 4-(ethoxymethyl)-3-fluorobenzenecarboximidamide

4-(ethoxymethyl)-3-fluorobenzenecarboximidamide (PubChem CID 24689913) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 4-(ethoxymethyl)-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(ethoxymethyl)-3-fluorobenzenecarboximidamide
PubChem CID24689913
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name4-(ethoxymethyl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCC)c(F)c1
InChIInChI=1S/C10H13FN2O/c1-2-14-6-8-4-3-7(10(12)13)5-9(8)11/h3-5H,2,6H2,1H3,(H3,12,13)
InChIKeyQGFDCPSWMXFEPL-UHFFFAOYSA-N
XLogP1.65
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.65
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 4-(ethoxymethyl)-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-(ethoxymethyl)-3-fluorobenzenecarboximidamide (CID 24689913) is 4-(ethoxymethyl)-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-(ethoxymethyl)-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-(ethoxymethyl)-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(COCC)c(F)c1.
What is the InChIKey of 4-(ethoxymethyl)-3-fluorobenzenecarboximidamide?
The InChIKey is QGFDCPSWMXFEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-2-14-6-8-4-3-7(10(12)13)5-9(8)11/h3-5H,2,6H2,1H3,(H3,12,13).
What are the key properties of 4-(ethoxymethyl)-3-fluorobenzenecarboximidamide?
4-(ethoxymethyl)-3-fluorobenzenecarboximidamide has a molecular weight of 196.22 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 24689913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).