4-(2-ethoxyethoxymethyl)-3-fluorobenzenecarboximidamide

C12H17FN2O2 — CID 24704335

IUPAC4-(2-ethoxyethoxymethyl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCCOCC)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-2-16-5-6-17-8-10-4-3-9(12(14)15)7-11(10)13/h3-4,7H,2,5-6,8H2,1H3,(H3,14,15)
InChIKeyNNVUCSIXLXWPMD-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.66
Rot. Bonds7

About 4-(2-ethoxyethoxymethyl)-3-fluorobenzenecarboximidamide

4-(2-ethoxyethoxymethyl)-3-fluorobenzenecarboximidamide (PubChem CID 24704335) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-(2-ethoxyethoxymethyl)-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-ethoxyethoxymethyl)-3-fluorobenzenecarboximidamide
PubChem CID24704335
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name4-(2-ethoxyethoxymethyl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCCOCC)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-2-16-5-6-17-8-10-4-3-9(12(14)15)7-11(10)13/h3-4,7H,2,5-6,8H2,1H3,(H3,14,15)
InChIKeyNNVUCSIXLXWPMD-UHFFFAOYSA-N
XLogP1.66
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-ethoxyethoxymethyl)-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-(2-ethoxyethoxymethyl)-3-fluorobenzenecarboximidamide (CID 24704335) is 4-(2-ethoxyethoxymethyl)-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-(2-ethoxyethoxymethyl)-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-(2-ethoxyethoxymethyl)-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(COCCOCC)c(F)c1.
What is the InChIKey of 4-(2-ethoxyethoxymethyl)-3-fluorobenzenecarboximidamide?
The InChIKey is NNVUCSIXLXWPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-2-16-5-6-17-8-10-4-3-9(12(14)15)7-11(10)13/h3-4,7H,2,5-6,8H2,1H3,(H3,14,15).
What are the key properties of 4-(2-ethoxyethoxymethyl)-3-fluorobenzenecarboximidamide?
4-(2-ethoxyethoxymethyl)-3-fluorobenzenecarboximidamide has a molecular weight of 240.28 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxymethyl)-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 24704335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).