2-fluoro-N'-hydroxy-6-(thiophen-3-ylmethoxy)benzenecarboximidamide

C12H11FN2O2S — CID 43646212

IUPAC2-fluoro-N'-hydroxy-6-(thiophen-3-ylmethoxy)benzenecarboximidamide
SMILESN/C(=N\O)c1c(F)cccc1OCc1ccsc1
InChIInChI=1S/C12H11FN2O2S/c13-9-2-1-3-10(11(9)12(14)15-16)17-6-8-4-5-18-7-8/h1-5,7,16H,6H2,(H2,14,15)
InChIKeyNDJNFHMSTMSNCL-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.56
Rot. Bonds4

About 2-fluoro-N'-hydroxy-6-(thiophen-3-ylmethoxy)benzenecarboximidamide

2-fluoro-N'-hydroxy-6-(thiophen-3-ylmethoxy)benzenecarboximidamide (PubChem CID 43646212) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-6-(thiophen-3-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-6-(thiophen-3-ylmethoxy)benzenecarboximidamide
PubChem CID43646212
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name2-fluoro-N'-hydroxy-6-(thiophen-3-ylmethoxy)benzenecarboximidamide
SMILESN/C(=N\O)c1c(F)cccc1OCc1ccsc1
InChIInChI=1S/C12H11FN2O2S/c13-9-2-1-3-10(11(9)12(14)15-16)17-6-8-4-5-18-7-8/h1-5,7,16H,6H2,(H2,14,15)
InChIKeyNDJNFHMSTMSNCL-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

2-fluoro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 43609287
2-fluoro-N'-hydroxy-6-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 74881945
3-fluoro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 107666373
2-[(5-ethylthiophen-2-yl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 43609289
2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 115281262
2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 43609277
2-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide
CID 76914452
N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646208
2,6-difluoro-N'-hydroxybenzenecarboximidamide
CID 3492978
N'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646207
3-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 74312754
2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide
CID 74881969

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-hydroxy-6-(thiophen-3-ylmethoxy)benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-6-(thiophen-3-ylmethoxy)benzenecarboximidamide (CID 43646212) is 2-fluoro-N'-hydroxy-6-(thiophen-3-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-6-(thiophen-3-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-6-(thiophen-3-ylmethoxy)benzenecarboximidamide is N/C(=N\O)c1c(F)cccc1OCc1ccsc1.
What is the InChIKey of 2-fluoro-N'-hydroxy-6-(thiophen-3-ylmethoxy)benzenecarboximidamide?
The InChIKey is NDJNFHMSTMSNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-9-2-1-3-10(11(9)12(14)15-16)17-6-8-4-5-18-7-8/h1-5,7,16H,6H2,(H2,14,15).
What are the key properties of 2-fluoro-N'-hydroxy-6-(thiophen-3-ylmethoxy)benzenecarboximidamide?
2-fluoro-N'-hydroxy-6-(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 2-fluoro-N'-hydroxy-6-(thiophen-3-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 43646212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).