3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide

C8H9FN2O2 — CID 50941129

IUPAC3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(CO)c(F)c1
InChIInChI=1S/C8H9FN2O2/c9-7-3-5(8(10)11-13)1-2-6(7)4-12/h1-3,12-13H,4H2,(H2,10,11)
InChIKeyXJFYMSCMHWLIEE-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.41
Rot. Bonds2

About 3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide

3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide (PubChem CID 50941129) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
PubChem CID50941129
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(CO)c(F)c1
InChIInChI=1S/C8H9FN2O2/c9-7-3-5(8(10)11-13)1-2-6(7)4-12/h1-3,12-13H,4H2,(H2,10,11)
InChIKeyXJFYMSCMHWLIEE-UHFFFAOYSA-N
XLogP0.41
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

methyl 2-[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]acetate
CID 86721971
3-fluoro-N'-hydroxy-4-[(6-hydroxyhexylamino)methyl]benzenecarboximidamide
CID 107853275
3-fluoro-N',4-dihydroxybenzenecarboximidamide
CID 135741555
3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide
CID 24708255
4-[(3,5-difluoroanilino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
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CID 24708972
4-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 106669732
4-(2,2-difluoroethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 82005290
3-fluoro-N'-hydroxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 24694417
3-fluoro-N'-hydroxy-4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]benzenecarboximidamide
CID 115360512
ethane;3-fluoro-N'-hydroxy-4-[[3-hydroxypropyl(methyl)amino]methyl]benzenecarboximidamide
CID 165399364
3-fluoro-N'-hydroxy-4-(3-methylbutan-2-ylsulfanylmethyl)benzenecarboximidamide
CID 107749878

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide (CID 50941129) is 3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide is N/C(=N/O)c1ccc(CO)c(F)c1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide?
The InChIKey is XJFYMSCMHWLIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c9-7-3-5(8(10)11-13)1-2-6(7)4-12/h1-3,12-13H,4H2,(H2,10,11).
What are the key properties of 3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide has a molecular weight of 184.17 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide is sourced from PubChem (CID 50941129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).