4-(2-ethoxyethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide

C12H17FN2O3 — CID 24689532

IUPAC4-(2-ethoxyethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCOCCOCc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C12H17FN2O3/c1-2-17-5-6-18-8-10-4-3-9(7-11(10)13)12(14)15-16/h3-4,7,16H,2,5-6,8H2,1H3,(H2,14,15)
InChIKeyHFAQADKWVXIZLE-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.47
Rot. Bonds7

About 4-(2-ethoxyethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide

4-(2-ethoxyethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 24689532) has the molecular formula C12H17FN2O3 and a molecular weight of 256.28 g/mol. Its IUPAC name is 4-(2-ethoxyethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-ethoxyethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID24689532
Molecular FormulaC12H17FN2O3
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC Name4-(2-ethoxyethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCOCCOCc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C12H17FN2O3/c1-2-17-5-6-18-8-10-4-3-9(7-11(10)13)12(14)15-16/h3-4,7,16H,2,5-6,8H2,1H3,(H2,14,15)
InChIKeyHFAQADKWVXIZLE-UHFFFAOYSA-N
XLogP1.47
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(2-ethoxyethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 24689532) is 4-(2-ethoxyethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(2-ethoxyethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(2-ethoxyethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide is CCOCCOCc1ccc(/C(N)=N/O)cc1F.
What is the InChIKey of 4-(2-ethoxyethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is HFAQADKWVXIZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3/c1-2-17-5-6-18-8-10-4-3-9(7-11(10)13)12(14)15-16/h3-4,7,16H,2,5-6,8H2,1H3,(H2,14,15).
What are the key properties of 4-(2-ethoxyethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-(2-ethoxyethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 256.28 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 24689532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).