2-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide

C10H13FN2OS — CID 79522698

IUPAC2-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1SCCOC
InChIInChI=1S/C10H13FN2OS/c1-14-5-6-15-8-4-2-3-7(11)9(8)10(12)13/h2-4H,5-6H2,1H3,(H3,12,13)
InChIKeyHZXRGYLVKPFDHW-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.85
Rot. Bonds5

About 2-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide

2-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide (PubChem CID 79522698) has the molecular formula C10H13FN2OS and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide
PubChem CID79522698
Molecular FormulaC10H13FN2OS
Molecular Weight228.29 g/mol
Exact Mass228.07
IUPAC Name2-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1SCCOC
InChIInChI=1S/C10H13FN2OS/c1-14-5-6-15-8-4-2-3-7(11)9(8)10(12)13/h2-4H,5-6H2,1H3,(H3,12,13)
InChIKeyHZXRGYLVKPFDHW-UHFFFAOYSA-N
XLogP1.85
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-bromo-6-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 114884393
2-fluoro-6-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide
CID 79522863
3,5-difluoro-4-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 81293387
2-butan-2-ylsulfanyl-6-fluorobenzenecarboximidamide
CID 79523193
1-[2-fluoro-6-(3-methoxypropylsulfanyl)phenyl]ethanone
CID 63856295
2-(2-bromophenyl)sulfanyl-6-fluorobenzenecarboximidamide
CID 79522375
2-fluoro-6-(oxolan-2-ylmethylsulfanyl)benzenecarboximidamide
CID 106494556
5-bromo-2-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 114893629
2-[2-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide
CID 104562371
2-fluoro-6-(2-methoxyethylsulfanyl)benzonitrile
CID 71991047
2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide
CID 79522536
2-cyclopentylsulfanyl-6-fluorobenzenecarboximidamide
CID 79522067

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide?
The IUPAC name of 2-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide (CID 79522698) is 2-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1SCCOC.
What is the InChIKey of 2-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide?
The InChIKey is HZXRGYLVKPFDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2OS/c1-14-5-6-15-8-4-2-3-7(11)9(8)10(12)13/h2-4H,5-6H2,1H3,(H3,12,13).
What are the key properties of 2-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide?
2-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide has a molecular weight of 228.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 79522698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).