[1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-2-methylbutyl]hydrazine

C14H19FN2OS — CID 105337985

IUPAC[1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-2-methylbutyl]hydrazine
SMILESCOCCC(C)C(NN)c1cc2cc(F)ccc2s1
InChIInChI=1S/C14H19FN2OS/c1-9(5-6-18-2)14(17-16)13-8-10-7-11(15)3-4-12(10)19-13/h3-4,7-9,14,17H,5-6,16H2,1-2H3
InChIKeyRDCVVZVCSXFATP-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.22
Rot. Bonds6

About [1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-2-methylbutyl]hydrazine

[1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-2-methylbutyl]hydrazine (PubChem CID 105337985) has the molecular formula C14H19FN2OS and a molecular weight of 282.38 g/mol. Its IUPAC name is [1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-2-methylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-2-methylbutyl]hydrazine
PubChem CID105337985
Molecular FormulaC14H19FN2OS
Molecular Weight282.38 g/mol
Exact Mass282.12
IUPAC Name[1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-2-methylbutyl]hydrazine
SMILESCOCCC(C)C(NN)c1cc2cc(F)ccc2s1
InChIInChI=1S/C14H19FN2OS/c1-9(5-6-18-2)14(17-16)13-8-10-7-11(15)3-4-12(10)19-13/h3-4,7-9,14,17H,5-6,16H2,1-2H3
InChIKeyRDCVVZVCSXFATP-UHFFFAOYSA-N
XLogP3.22
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(5-fluoro-1-benzothiophen-2-yl)-2-methyl-N-propylpentan-1-amine
CID 107893741
(1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 55268334
[3-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)heptyl]hydrazine
CID 105288337
[(5-fluoro-1-benzothiophen-2-yl)-(3-methylphenyl)methyl]hydrazine
CID 105284893
N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 19846311
2-(5-fluoro-1-benzothiophen-2-yl)propan-1-ol
CID 117121247
[1-(5-fluoro-1-benzothiophen-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105285056
1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028329
1-(5-fluoro-1-benzothiophen-2-yl)hexan-1-amine
CID 105129507
1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol
CID 105085760
[(2-ethylcyclohexyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105309678

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-2-methylbutyl]hydrazine?
The IUPAC name of [1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-2-methylbutyl]hydrazine (CID 105337985) is [1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-2-methylbutyl]hydrazine.
What is the SMILES notation for [1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-2-methylbutyl]hydrazine?
The canonical SMILES for [1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-2-methylbutyl]hydrazine is COCCC(C)C(NN)c1cc2cc(F)ccc2s1.
What is the InChIKey of [1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-2-methylbutyl]hydrazine?
The InChIKey is RDCVVZVCSXFATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2OS/c1-9(5-6-18-2)14(17-16)13-8-10-7-11(15)3-4-12(10)19-13/h3-4,7-9,14,17H,5-6,16H2,1-2H3.
What are the key properties of [1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-2-methylbutyl]hydrazine?
[1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-2-methylbutyl]hydrazine has a molecular weight of 282.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-2-methylbutyl]hydrazine is sourced from PubChem (CID 105337985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).