3-fluoro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide

C12H11FN2O2S — CID 107666373

IUPAC3-fluoro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCc2ccsc2)c(F)c1
InChIInChI=1S/C12H11FN2O2S/c13-10-5-9(12(14)15-16)1-2-11(10)17-6-8-3-4-18-7-8/h1-5,7,16H,6H2,(H2,14,15)
InChIKeyUBFYMKNYFIIHDL-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.56
Rot. Bonds4

About 3-fluoro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide

3-fluoro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide (PubChem CID 107666373) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
PubChem CID107666373
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name3-fluoro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCc2ccsc2)c(F)c1
InChIInChI=1S/C12H11FN2O2S/c13-10-5-9(12(14)15-16)1-2-11(10)17-6-8-3-4-18-7-8/h1-5,7,16H,6H2,(H2,14,15)
InChIKeyUBFYMKNYFIIHDL-UHFFFAOYSA-N
XLogP2.56
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646207
3-fluoro-N'-hydroxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 107666368
2-fluoro-N'-hydroxy-6-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646212
3-fluoro-N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 107666338
N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646208
4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666251
4-[(5-bromothiophen-2-yl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666206
4-[(2,6-dimethylphenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666471
3-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 74312754
3-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107881690
3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 107689490
4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666346

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide (CID 107666373) is 3-fluoro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide is N/C(=N/O)c1ccc(OCc2ccsc2)c(F)c1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide?
The InChIKey is UBFYMKNYFIIHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-10-5-9(12(14)15-16)1-2-11(10)17-6-8-3-4-18-7-8/h1-5,7,16H,6H2,(H2,14,15).
What are the key properties of 3-fluoro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide has a molecular weight of 266.30 g/mol, XLogP of 2.56, 4 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-(thiophen-3-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 107666373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).