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

C17H25FN2S — CID 105288337

IUPAC[3-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)heptyl]hydrazine
SMILESCCCCC(CC)CC(NN)c1cc2cc(F)ccc2s1
InChIInChI=1S/C17H25FN2S/c1-3-5-6-12(4-2)9-15(20-19)17-11-13-10-14(18)7-8-16(13)21-17/h7-8,10-12,15,20H,3-6,9,19H2,1-2H3
InChIKeyLDUPPLZRXMWVGF-UHFFFAOYSA-N
MW308.47 g/mol
LogP5.15
Rot. Bonds8

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

[3-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)heptyl]hydrazine (PubChem CID 105288337) has the molecular formula C17H25FN2S and a molecular weight of 308.47 g/mol. Its IUPAC name is [3-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)heptyl]hydrazine.

Molecular Properties

Compound Name[3-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)heptyl]hydrazine
PubChem CID105288337
Molecular FormulaC17H25FN2S
Molecular Weight308.47 g/mol
Exact Mass308.17
IUPAC Name[3-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)heptyl]hydrazine
SMILESCCCCC(CC)CC(NN)c1cc2cc(F)ccc2s1
InChIInChI=1S/C17H25FN2S/c1-3-5-6-12(4-2)9-15(20-19)17-11-13-10-14(18)7-8-16(13)21-17/h7-8,10-12,15,20H,3-6,9,19H2,1-2H3
InChIKeyLDUPPLZRXMWVGF-UHFFFAOYSA-N
XLogP5.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 55.15
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-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine
CID 105282766
1-(6-fluoro-1-benzothiophen-2-yl)pentylhydrazine
CID 105293758
1-(5-fluoro-1-benzothiophen-2-yl)hexan-1-amine
CID 105129507
1-(6-fluoro-1-benzothiophen-2-yl)nonylhydrazine
CID 105294406
1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol
CID 105085760
[1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-2-methylbutyl]hydrazine
CID 105337985
[1-(5-fluoro-1-benzothiophen-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105285056
[(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105289843
N-ethyl-4,4,4-trifluoro-1-(5-fluoro-1-benzothiophen-2-yl)butan-1-amine
CID 105156465
[1-(5-bromothiophen-3-yl)-3-ethylheptyl]hydrazine
CID 105288393
[1-(4-bromo-2-fluorophenyl)-3-ethylheptyl]hydrazine
CID 105280875
[1-(2,6-difluoro-3-methylphenyl)-3-ethylheptyl]hydrazine
CID 105288270

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)heptyl]hydrazine?
The IUPAC name of [3-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)heptyl]hydrazine (CID 105288337) is [3-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)heptyl]hydrazine.
What is the SMILES notation for [3-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)heptyl]hydrazine?
The canonical SMILES for [3-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)heptyl]hydrazine is CCCCC(CC)CC(NN)c1cc2cc(F)ccc2s1.
What is the InChIKey of [3-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)heptyl]hydrazine?
The InChIKey is LDUPPLZRXMWVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2S/c1-3-5-6-12(4-2)9-15(20-19)17-11-13-10-14(18)7-8-16(13)21-17/h7-8,10-12,15,20H,3-6,9,19H2,1-2H3.
What are the key properties of [3-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)heptyl]hydrazine?
[3-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)heptyl]hydrazine has a molecular weight of 308.47 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)heptyl]hydrazine is sourced from PubChem (CID 105288337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).