[(3,5-dimethylcyclohexyl)-(6-fluoro-1-benzothiophen-2-yl)methyl]hydrazine

C17H23FN2S — CID 105312186

IUPAC[(3,5-dimethylcyclohexyl)-(6-fluoro-1-benzothiophen-2-yl)methyl]hydrazine
SMILESCC1CC(C)CC(C(NN)c2cc3ccc(F)cc3s2)C1
InChIInChI=1S/C17H23FN2S/c1-10-5-11(2)7-13(6-10)17(20-19)16-8-12-3-4-14(18)9-15(12)21-16/h3-4,8-11,13,17,20H,5-7,19H2,1-2H3
InChIKeyGRQKDRKEBGKHHY-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.62
Rot. Bonds3

About [(3,5-dimethylcyclohexyl)-(6-fluoro-1-benzothiophen-2-yl)methyl]hydrazine

[(3,5-dimethylcyclohexyl)-(6-fluoro-1-benzothiophen-2-yl)methyl]hydrazine (PubChem CID 105312186) has the molecular formula C17H23FN2S and a molecular weight of 306.45 g/mol. Its IUPAC name is [(3,5-dimethylcyclohexyl)-(6-fluoro-1-benzothiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3,5-dimethylcyclohexyl)-(6-fluoro-1-benzothiophen-2-yl)methyl]hydrazine
PubChem CID105312186
Molecular FormulaC17H23FN2S
Molecular Weight306.45 g/mol
Exact Mass306.16
IUPAC Name[(3,5-dimethylcyclohexyl)-(6-fluoro-1-benzothiophen-2-yl)methyl]hydrazine
SMILESCC1CC(C)CC(C(NN)c2cc3ccc(F)cc3s2)C1
InChIInChI=1S/C17H23FN2S/c1-10-5-11(2)7-13(6-10)17(20-19)16-8-12-3-4-14(18)9-15(12)21-16/h3-4,8-11,13,17,20H,5-7,19H2,1-2H3
InChIKeyGRQKDRKEBGKHHY-UHFFFAOYSA-N
XLogP4.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.62
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

[(3,5-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105312147
1-(6-fluoro-1-benzothiophen-2-yl)prop-2-ynylhydrazine
CID 105315537
[(6-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methyl]hydrazine
CID 105285355
2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
CID 115847440
2-cyclobutyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
CID 115863822
methyl 2-amino-2-(6-fluoro-1-benzothiophen-2-yl)acetate
CID 115072235
1-(6-fluoro-1-benzothiophen-2-yl)pentylhydrazine
CID 105293758
[1-(6-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105283753
1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 114979546
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine
CID 105017408
1-(6-fluoro-1-benzothiophen-2-yl)nonylhydrazine
CID 105294406
[(3,5-dimethylcyclohexyl)-(4-ethylphenyl)methyl]hydrazine
CID 105197458

Frequently Asked Questions

What is the IUPAC name of [(3,5-dimethylcyclohexyl)-(6-fluoro-1-benzothiophen-2-yl)methyl]hydrazine?
The IUPAC name of [(3,5-dimethylcyclohexyl)-(6-fluoro-1-benzothiophen-2-yl)methyl]hydrazine (CID 105312186) is [(3,5-dimethylcyclohexyl)-(6-fluoro-1-benzothiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3,5-dimethylcyclohexyl)-(6-fluoro-1-benzothiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [(3,5-dimethylcyclohexyl)-(6-fluoro-1-benzothiophen-2-yl)methyl]hydrazine is CC1CC(C)CC(C(NN)c2cc3ccc(F)cc3s2)C1.
What is the InChIKey of [(3,5-dimethylcyclohexyl)-(6-fluoro-1-benzothiophen-2-yl)methyl]hydrazine?
The InChIKey is GRQKDRKEBGKHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2S/c1-10-5-11(2)7-13(6-10)17(20-19)16-8-12-3-4-14(18)9-15(12)21-16/h3-4,8-11,13,17,20H,5-7,19H2,1-2H3.
What are the key properties of [(3,5-dimethylcyclohexyl)-(6-fluoro-1-benzothiophen-2-yl)methyl]hydrazine?
[(3,5-dimethylcyclohexyl)-(6-fluoro-1-benzothiophen-2-yl)methyl]hydrazine has a molecular weight of 306.45 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,5-dimethylcyclohexyl)-(6-fluoro-1-benzothiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 105312186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).