[1-(6-fluoro-1-benzothiophen-2-yl)-5,5-dimethylhexyl]hydrazine

C16H23FN2S — CID 114211702

IUPAC[1-(6-fluoro-1-benzothiophen-2-yl)-5,5-dimethylhexyl]hydrazine
SMILESCC(C)(C)CCCC(NN)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H23FN2S/c1-16(2,3)8-4-5-13(19-18)15-9-11-6-7-12(17)10-14(11)20-15/h6-7,9-10,13,19H,4-5,8,18H2,1-3H3
InChIKeyWQWUGTCYEABRAF-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.76
Rot. Bonds5

About [1-(6-fluoro-1-benzothiophen-2-yl)-5,5-dimethylhexyl]hydrazine

[1-(6-fluoro-1-benzothiophen-2-yl)-5,5-dimethylhexyl]hydrazine (PubChem CID 114211702) has the molecular formula C16H23FN2S and a molecular weight of 294.44 g/mol. Its IUPAC name is [1-(6-fluoro-1-benzothiophen-2-yl)-5,5-dimethylhexyl]hydrazine.

Molecular Properties

Compound Name[1-(6-fluoro-1-benzothiophen-2-yl)-5,5-dimethylhexyl]hydrazine
PubChem CID114211702
Molecular FormulaC16H23FN2S
Molecular Weight294.44 g/mol
Exact Mass294.16
IUPAC Name[1-(6-fluoro-1-benzothiophen-2-yl)-5,5-dimethylhexyl]hydrazine
SMILESCC(C)(C)CCCC(NN)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H23FN2S/c1-16(2,3)8-4-5-13(19-18)15-9-11-6-7-12(17)10-14(11)20-15/h6-7,9-10,13,19H,4-5,8,18H2,1-3H3
InChIKeyWQWUGTCYEABRAF-UHFFFAOYSA-N
XLogP4.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.76
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

1-(6-fluoro-1-benzothiophen-2-yl)pentylhydrazine
CID 105293758
1-(6-fluoro-1-benzothiophen-2-yl)nonylhydrazine
CID 105294406
[1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutyl]hydrazine
CID 105290885
[1-(6-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105283753
[1-(6-fluoro-1-benzothiophen-2-yl)-3-thiophen-3-ylpropyl]hydrazine
CID 105306761
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyloctan-1-amine
CID 115832398
1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-N-methylbutan-1-amine
CID 105055088
N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039626
4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)-N-propylbutan-1-amine
CID 104992759
[1-(6-fluoro-1-benzothiophen-2-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314280
1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol
CID 115783093
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 115820928

Frequently Asked Questions

What is the IUPAC name of [1-(6-fluoro-1-benzothiophen-2-yl)-5,5-dimethylhexyl]hydrazine?
The IUPAC name of [1-(6-fluoro-1-benzothiophen-2-yl)-5,5-dimethylhexyl]hydrazine (CID 114211702) is [1-(6-fluoro-1-benzothiophen-2-yl)-5,5-dimethylhexyl]hydrazine.
What is the SMILES notation for [1-(6-fluoro-1-benzothiophen-2-yl)-5,5-dimethylhexyl]hydrazine?
The canonical SMILES for [1-(6-fluoro-1-benzothiophen-2-yl)-5,5-dimethylhexyl]hydrazine is CC(C)(C)CCCC(NN)c1cc2ccc(F)cc2s1.
What is the InChIKey of [1-(6-fluoro-1-benzothiophen-2-yl)-5,5-dimethylhexyl]hydrazine?
The InChIKey is WQWUGTCYEABRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2S/c1-16(2,3)8-4-5-13(19-18)15-9-11-6-7-12(17)10-14(11)20-15/h6-7,9-10,13,19H,4-5,8,18H2,1-3H3.
What are the key properties of [1-(6-fluoro-1-benzothiophen-2-yl)-5,5-dimethylhexyl]hydrazine?
[1-(6-fluoro-1-benzothiophen-2-yl)-5,5-dimethylhexyl]hydrazine has a molecular weight of 294.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-fluoro-1-benzothiophen-2-yl)-5,5-dimethylhexyl]hydrazine is sourced from PubChem (CID 114211702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).