[1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine

C13H17FN2S — CID 105282766

IUPAC[1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine
SMILESCC(C)CC(NN)c1cc2cc(F)ccc2s1
InChIInChI=1S/C13H17FN2S/c1-8(2)5-11(16-15)13-7-9-6-10(14)3-4-12(9)17-13/h3-4,6-8,11,16H,5,15H2,1-2H3
InChIKeyLEWXLDRCYKTHBG-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.59
Rot. Bonds4

About [1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine

[1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine (PubChem CID 105282766) has the molecular formula C13H17FN2S and a molecular weight of 252.36 g/mol. Its IUPAC name is [1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine
PubChem CID105282766
Molecular FormulaC13H17FN2S
Molecular Weight252.36 g/mol
Exact Mass252.11
IUPAC Name[1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine
SMILESCC(C)CC(NN)c1cc2cc(F)ccc2s1
InChIInChI=1S/C13H17FN2S/c1-8(2)5-11(16-15)13-7-9-6-10(14)3-4-12(9)17-13/h3-4,6-8,11,16H,5,15H2,1-2H3
InChIKeyLEWXLDRCYKTHBG-UHFFFAOYSA-N
XLogP3.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.59
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

[3-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)heptyl]hydrazine
CID 105288337
[1-(5-fluoro-1-benzothiophen-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105285056
(1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 55268334
[1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-2-methylbutyl]hydrazine
CID 105337985
1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 105087174
2-(5-fluoro-1-benzothiophen-2-yl)propan-1-ol
CID 117121247
N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 19846311
[(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105289843
1-(6-fluoro-1-benzothiophen-2-yl)pentylhydrazine
CID 105293758
[1-(1-benzothiophen-2-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105295198
[1-(6-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105283753
N-ethyl-4,4,4-trifluoro-1-(5-fluoro-1-benzothiophen-2-yl)butan-1-amine
CID 105156465

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine?
The IUPAC name of [1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine (CID 105282766) is [1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine.
What is the SMILES notation for [1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine?
The canonical SMILES for [1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine is CC(C)CC(NN)c1cc2cc(F)ccc2s1.
What is the InChIKey of [1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine?
The InChIKey is LEWXLDRCYKTHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2S/c1-8(2)5-11(16-15)13-7-9-6-10(14)3-4-12(9)17-13/h3-4,6-8,11,16H,5,15H2,1-2H3.
What are the key properties of [1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine?
[1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine has a molecular weight of 252.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine is sourced from PubChem (CID 105282766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).