3-fluoro-N'-hydroxy-4-(2-methoxyethylsulfanyl)benzenecarboximidamide

C10H13FN2O2S — CID 43658555

IUPAC3-fluoro-N'-hydroxy-4-(2-methoxyethylsulfanyl)benzenecarboximidamide
SMILESCOCCSc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C10H13FN2O2S/c1-15-4-5-16-9-3-2-7(6-8(9)11)10(12)13-14/h2-3,6,14H,4-5H2,1H3,(H2,12,13)
InChIKeyIPOFYFJHGVUMEC-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.66
Rot. Bonds5

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

3-fluoro-N'-hydroxy-4-(2-methoxyethylsulfanyl)benzenecarboximidamide (PubChem CID 43658555) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-(2-methoxyethylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-(2-methoxyethylsulfanyl)benzenecarboximidamide
PubChem CID43658555
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name3-fluoro-N'-hydroxy-4-(2-methoxyethylsulfanyl)benzenecarboximidamide
SMILESCOCCSc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C10H13FN2O2S/c1-15-4-5-16-9-3-2-7(6-8(9)11)10(12)13-14/h2-3,6,14H,4-5H2,1H3,(H2,12,13)
InChIKeyIPOFYFJHGVUMEC-UHFFFAOYSA-N
XLogP1.66
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.66
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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-(2-methoxyethylsulfanyl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-(2-methoxyethylsulfanyl)benzenecarboximidamide (CID 43658555) is 3-fluoro-N'-hydroxy-4-(2-methoxyethylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-(2-methoxyethylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-(2-methoxyethylsulfanyl)benzenecarboximidamide is COCCSc1ccc(/C(N)=N/O)cc1F.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-(2-methoxyethylsulfanyl)benzenecarboximidamide?
The InChIKey is IPOFYFJHGVUMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c1-15-4-5-16-9-3-2-7(6-8(9)11)10(12)13-14/h2-3,6,14H,4-5H2,1H3,(H2,12,13).
What are the key properties of 3-fluoro-N'-hydroxy-4-(2-methoxyethylsulfanyl)benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-(2-methoxyethylsulfanyl)benzenecarboximidamide has a molecular weight of 244.29 g/mol, XLogP of 1.66, 5 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-methoxyethylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 43658555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).