[(2,6-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine

C15H16F2N2S — CID 105308080

IUPAC[(2,6-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine
SMILESNNC(c1c(F)cccc1F)C1CCCc2sccc21
InChIInChI=1S/C15H16F2N2S/c16-11-4-2-5-12(17)14(11)15(19-18)10-3-1-6-13-9(10)7-8-20-13/h2,4-5,7-8,10,15,19H,1,3,6,18H2
InChIKeyKITIMQUSIOXFGI-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.65
Rot. Bonds3

About [(2,6-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine

[(2,6-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine (PubChem CID 105308080) has the molecular formula C15H16F2N2S and a molecular weight of 294.37 g/mol. Its IUPAC name is [(2,6-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,6-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine
PubChem CID105308080
Molecular FormulaC15H16F2N2S
Molecular Weight294.37 g/mol
Exact Mass294.10
IUPAC Name[(2,6-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine
SMILESNNC(c1c(F)cccc1F)C1CCCc2sccc21
InChIInChI=1S/C15H16F2N2S/c16-11-4-2-5-12(17)14(11)15(19-18)10-3-1-6-13-9(10)7-8-20-13/h2,4-5,7-8,10,15,19H,1,3,6,18H2
InChIKeyKITIMQUSIOXFGI-UHFFFAOYSA-N
XLogP3.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312899
[2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105283115
1-(3,4-difluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105145687
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methyl]hydrazine
CID 105224671
[2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 107312849
(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 106883693
N-(3-fluoro-2-iodophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 114258382
[(3,5-dimethylcyclohexyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine
CID 105312196
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 115724420
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pent-4-enylhydrazine
CID 105311558
N-[(3-methylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]ethanamine
CID 105090908
[4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105341663

Frequently Asked Questions

What is the IUPAC name of [(2,6-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine?
The IUPAC name of [(2,6-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine (CID 105308080) is [(2,6-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine.
What is the SMILES notation for [(2,6-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine?
The canonical SMILES for [(2,6-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine is NNC(c1c(F)cccc1F)C1CCCc2sccc21.
What is the InChIKey of [(2,6-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine?
The InChIKey is KITIMQUSIOXFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2S/c16-11-4-2-5-12(17)14(11)15(19-18)10-3-1-6-13-9(10)7-8-20-13/h2,4-5,7-8,10,15,19H,1,3,6,18H2.
What are the key properties of [(2,6-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine?
[(2,6-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine has a molecular weight of 294.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine is sourced from PubChem (CID 105308080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).