[(2-ethylcyclohexyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine

C17H23FN2S — CID 105309678

IUPAC[(2-ethylcyclohexyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine
SMILESCCC1CCCCC1C(NN)c1cc2cc(F)ccc2s1
InChIInChI=1S/C17H23FN2S/c1-2-11-5-3-4-6-14(11)17(20-19)16-10-12-9-13(18)7-8-15(12)21-16/h7-11,14,17,20H,2-6,19H2,1H3
InChIKeyFUOPFGROWBTIFC-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.76
Rot. Bonds4

About [(2-ethylcyclohexyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine

[(2-ethylcyclohexyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine (PubChem CID 105309678) has the molecular formula C17H23FN2S and a molecular weight of 306.45 g/mol. Its IUPAC name is [(2-ethylcyclohexyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-ethylcyclohexyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine
PubChem CID105309678
Molecular FormulaC17H23FN2S
Molecular Weight306.45 g/mol
Exact Mass306.16
IUPAC Name[(2-ethylcyclohexyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine
SMILESCCC1CCCCC1C(NN)c1cc2cc(F)ccc2s1
InChIInChI=1S/C17H23FN2S/c1-2-11-5-3-4-6-14(11)17(20-19)16-10-12-9-13(18)7-8-15(12)21-16/h7-11,14,17,20H,2-6,19H2,1H3
InChIKeyFUOPFGROWBTIFC-UHFFFAOYSA-N
XLogP4.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
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

[(3,5-difluorophenyl)-(2-ethylcyclohexyl)methyl]hydrazine
CID 105207871
N-[2-cyclopentyl-1-(5-fluoro-1-benzothiophen-2-yl)ethyl]propan-1-amine
CID 105138906
[1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine
CID 105282766
[(2-ethylcyclohexyl)-(furan-3-yl)methyl]hydrazine
CID 105221337
1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 105147269
[1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-2-methylbutyl]hydrazine
CID 105337985
1-(5-fluoro-1-benzothiophen-2-yl)hexan-1-amine
CID 105129507
[(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105289843
[(2-ethylcyclohexyl)-isoquinolin-1-ylmethyl]hydrazine
CID 105220614
[(2-bromo-5-chlorophenyl)-(2-ethylcyclohexyl)methyl]hydrazine
CID 114027357
[(5-fluoro-1-benzothiophen-2-yl)-(3-methylphenyl)methyl]hydrazine
CID 105284893
[(2-ethylcyclohexyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105309605

Frequently Asked Questions

What is the IUPAC name of [(2-ethylcyclohexyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine?
The IUPAC name of [(2-ethylcyclohexyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine (CID 105309678) is [(2-ethylcyclohexyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2-ethylcyclohexyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [(2-ethylcyclohexyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine is CCC1CCCCC1C(NN)c1cc2cc(F)ccc2s1.
What is the InChIKey of [(2-ethylcyclohexyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine?
The InChIKey is FUOPFGROWBTIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2S/c1-2-11-5-3-4-6-14(11)17(20-19)16-10-12-9-13(18)7-8-15(12)21-16/h7-11,14,17,20H,2-6,19H2,1H3.
What are the key properties of [(2-ethylcyclohexyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine?
[(2-ethylcyclohexyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine has a molecular weight of 306.45 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-ethylcyclohexyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 105309678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).