1-[3-(difluoromethylsulfanyl)-2-iodophenyl]-1-methylhydrazine

C8H9F2IN2S — CID 155217847

IUPAC1-[3-(difluoromethylsulfanyl)-2-iodophenyl]-1-methylhydrazine
SMILESCN(N)c1cccc(SC(F)F)c1I
InChIInChI=1S/C8H9F2IN2S/c1-13(12)5-3-2-4-6(7(5)11)14-8(9)10/h2-4,8H,12H2,1H3
InChIKeyAOUXLSSPGKNONJ-UHFFFAOYSA-N
MW330.14 g/mol
LogP2.92
Rot. Bonds3

About 1-[3-(difluoromethylsulfanyl)-2-iodophenyl]-1-methylhydrazine

1-[3-(difluoromethylsulfanyl)-2-iodophenyl]-1-methylhydrazine (PubChem CID 155217847) has the molecular formula C8H9F2IN2S and a molecular weight of 330.14 g/mol. Its IUPAC name is 1-[3-(difluoromethylsulfanyl)-2-iodophenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[3-(difluoromethylsulfanyl)-2-iodophenyl]-1-methylhydrazine
PubChem CID155217847
Molecular FormulaC8H9F2IN2S
Molecular Weight330.14 g/mol
Exact Mass329.95
IUPAC Name1-[3-(difluoromethylsulfanyl)-2-iodophenyl]-1-methylhydrazine
SMILESCN(N)c1cccc(SC(F)F)c1I
InChIInChI=1S/C8H9F2IN2S/c1-13(12)5-3-2-4-6(7(5)11)14-8(9)10/h2-4,8H,12H2,1H3
InChIKeyAOUXLSSPGKNONJ-UHFFFAOYSA-N
XLogP2.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.14
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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 1-[3-(difluoromethylsulfanyl)-2-iodophenyl]-1-methylhydrazine?
The IUPAC name of 1-[3-(difluoromethylsulfanyl)-2-iodophenyl]-1-methylhydrazine (CID 155217847) is 1-[3-(difluoromethylsulfanyl)-2-iodophenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[3-(difluoromethylsulfanyl)-2-iodophenyl]-1-methylhydrazine?
The canonical SMILES for 1-[3-(difluoromethylsulfanyl)-2-iodophenyl]-1-methylhydrazine is CN(N)c1cccc(SC(F)F)c1I.
What is the InChIKey of 1-[3-(difluoromethylsulfanyl)-2-iodophenyl]-1-methylhydrazine?
The InChIKey is AOUXLSSPGKNONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2IN2S/c1-13(12)5-3-2-4-6(7(5)11)14-8(9)10/h2-4,8H,12H2,1H3.
What are the key properties of 1-[3-(difluoromethylsulfanyl)-2-iodophenyl]-1-methylhydrazine?
1-[3-(difluoromethylsulfanyl)-2-iodophenyl]-1-methylhydrazine has a molecular weight of 330.14 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethylsulfanyl)-2-iodophenyl]-1-methylhydrazine is sourced from PubChem (CID 155217847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).