3-fluoro-N'-hydroxy-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide

C13H19FN2O3 — CID 24691313

IUPAC3-fluoro-N'-hydroxy-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide
SMILESCC(C)OCCOCc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C13H19FN2O3/c1-9(2)19-6-5-18-8-11-4-3-10(7-12(11)14)13(15)16-17/h3-4,7,9,17H,5-6,8H2,1-2H3,(H2,15,16)
InChIKeyLGIQFJHSXPQTBR-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.86
Rot. Bonds7

About 3-fluoro-N'-hydroxy-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide

3-fluoro-N'-hydroxy-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide (PubChem CID 24691313) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide
PubChem CID24691313
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name3-fluoro-N'-hydroxy-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide
SMILESCC(C)OCCOCc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C13H19FN2O3/c1-9(2)19-6-5-18-8-11-4-3-10(7-12(11)14)13(15)16-17/h3-4,7,9,17H,5-6,8H2,1-2H3,(H2,15,16)
InChIKeyLGIQFJHSXPQTBR-UHFFFAOYSA-N
XLogP1.86
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.86
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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Related Compounds

4-(1,3-dioxolan-2-yl)-N'-hydroxybenzimidamide
CID 2819228
Acetamidoxime, 2-ethoxy-2-(p-tolyl)-
CID 9570589
CID 5715446
CID 5715446
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 43165095
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzimidamide
CID 50941129
4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]-N'-hydroxybenzenecarboximidamide
CID 59155285
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 74865047
2-Fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 86762396
CID 87371662
CID 87371662
CID 90091993
CID 90091993
4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]-N'-hydroxybenzenecarboximidamide
CID 90861352
CID 90866522
CID 90866522

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide (CID 24691313) is 3-fluoro-N'-hydroxy-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide is CC(C)OCCOCc1ccc(/C(N)=N/O)cc1F.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide?
The InChIKey is LGIQFJHSXPQTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-9(2)19-6-5-18-8-11-4-3-10(7-12(11)14)13(15)16-17/h3-4,7,9,17H,5-6,8H2,1-2H3,(H2,15,16).
What are the key properties of 3-fluoro-N'-hydroxy-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide has a molecular weight of 270.30 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 24691313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).