3,5-difluoro-4-(2-methoxyethylsulfanyl)benzenecarboximidamide

C10H12F2N2OS — CID 81293387

IUPAC3,5-difluoro-4-(2-methoxyethylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(SCCOC)c(F)c1
InChIInChI=1S/C10H12F2N2OS/c1-15-2-3-16-9-7(11)4-6(10(13)14)5-8(9)12/h4-5H,2-3H2,1H3,(H3,13,14)
InChIKeyWWSGJMCQXIVMIC-UHFFFAOYSA-N
MW246.28 g/mol
LogP1.99
Rot. Bonds5

About 3,5-difluoro-4-(2-methoxyethylsulfanyl)benzenecarboximidamide

3,5-difluoro-4-(2-methoxyethylsulfanyl)benzenecarboximidamide (PubChem CID 81293387) has the molecular formula C10H12F2N2OS and a molecular weight of 246.28 g/mol. Its IUPAC name is 3,5-difluoro-4-(2-methoxyethylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-4-(2-methoxyethylsulfanyl)benzenecarboximidamide
PubChem CID81293387
Molecular FormulaC10H12F2N2OS
Molecular Weight246.28 g/mol
Exact Mass246.06
IUPAC Name3,5-difluoro-4-(2-methoxyethylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(SCCOC)c(F)c1
InChIInChI=1S/C10H12F2N2OS/c1-15-2-3-16-9-7(11)4-6(10(13)14)5-8(9)12/h4-5H,2-3H2,1H3,(H3,13,14)
InChIKeyWWSGJMCQXIVMIC-UHFFFAOYSA-N
XLogP1.99
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 51.99
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-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 79522698
4-[(4-chlorophenyl)methylsulfanyl]-3,5-difluorobenzenecarboximidamide
CID 114790509
4-(cyclopentylmethylsulfanyl)-3,5-difluorobenzenecarboximidamide
CID 81286329
3,5-difluoro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402805
4-[cyclopropyl(2-methoxyethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81294570
3,5-difluoro-4-propoxybenzenecarboximidamide
CID 81293988
N-[[3,5-difluoro-4-(2-methoxyethylsulfanyl)phenyl]methyl]ethanamine
CID 63807299
5-bromo-2-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 114893629
4-(diethylamino)-3,5-difluorobenzenecarboximidamide
CID 81293229
3,5-difluoro-4-(2-propan-2-yloxyethoxy)benzenecarboximidamide
CID 81293857
3,5-difluoro-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 115383047
3,5-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 81293390

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(2-methoxyethylsulfanyl)benzenecarboximidamide?
The IUPAC name of 3,5-difluoro-4-(2-methoxyethylsulfanyl)benzenecarboximidamide (CID 81293387) is 3,5-difluoro-4-(2-methoxyethylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-4-(2-methoxyethylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-4-(2-methoxyethylsulfanyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(SCCOC)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(2-methoxyethylsulfanyl)benzenecarboximidamide?
The InChIKey is WWSGJMCQXIVMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2OS/c1-15-2-3-16-9-7(11)4-6(10(13)14)5-8(9)12/h4-5H,2-3H2,1H3,(H3,13,14).
What are the key properties of 3,5-difluoro-4-(2-methoxyethylsulfanyl)benzenecarboximidamide?
3,5-difluoro-4-(2-methoxyethylsulfanyl)benzenecarboximidamide has a molecular weight of 246.28 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(2-methoxyethylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 81293387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).