2-fluoro-N'-hydroxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzenecarboximidamide

C14H21FN2O3 — CID 107117708

IUPAC2-fluoro-N'-hydroxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzenecarboximidamide
SMILESCC(C)COCCOCc1cccc(/C(N)=N/O)c1F
InChIInChI=1S/C14H21FN2O3/c1-10(2)8-19-6-7-20-9-11-4-3-5-12(13(11)15)14(16)17-18/h3-5,10,18H,6-9H2,1-2H3,(H2,16,17)
InChIKeyYCPKBWQTVKTJNT-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.11
Rot. Bonds8

About 2-fluoro-N'-hydroxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzenecarboximidamide

2-fluoro-N'-hydroxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzenecarboximidamide (PubChem CID 107117708) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzenecarboximidamide
PubChem CID107117708
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name2-fluoro-N'-hydroxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzenecarboximidamide
SMILESCC(C)COCCOCc1cccc(/C(N)=N/O)c1F
InChIInChI=1S/C14H21FN2O3/c1-10(2)8-19-6-7-20-9-11-4-3-5-12(13(11)15)14(16)17-18/h3-5,10,18H,6-9H2,1-2H3,(H2,16,17)
InChIKeyYCPKBWQTVKTJNT-UHFFFAOYSA-N
XLogP2.11
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.11
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

5-fluoro-N'-hydroxy-2-(2-methylpropoxymethyl)benzenecarboximidamide
CID 55171941
2-fluoro-3-(furan-2-ylmethoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 107117587
2-fluoro-3-[2-(2-methylpropoxy)ethoxymethyl]benzonitrile
CID 107115263
N'-hydroxy-2-(4-methylpentoxymethyl)benzenecarboximidamide
CID 43128393
3-[(2,3-difluorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117654
3-[(2,3-dimethylphenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117609
2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide
CID 107116628
3-[[butan-2-yl(ethyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116403
3-[(2-chlorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117566
2-fluoro-N'-hydroxy-3-[(3-methoxycyclohexyl)oxymethyl]benzenecarboximidamide
CID 107117665
2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 107117672
3-[(2-ethoxypropylamino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117428

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-hydroxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzenecarboximidamide (CID 107117708) is 2-fluoro-N'-hydroxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzenecarboximidamide is CC(C)COCCOCc1cccc(/C(N)=N/O)c1F.
What is the InChIKey of 2-fluoro-N'-hydroxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzenecarboximidamide?
The InChIKey is YCPKBWQTVKTJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-10(2)8-19-6-7-20-9-11-4-3-5-12(13(11)15)14(16)17-18/h3-5,10,18H,6-9H2,1-2H3,(H2,16,17).
What are the key properties of 2-fluoro-N'-hydroxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzenecarboximidamide?
2-fluoro-N'-hydroxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzenecarboximidamide has a molecular weight of 284.33 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-hydroxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzenecarboximidamide is sourced from PubChem (CID 107117708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).