1-(6-fluoro-1-benzothiophen-2-yl)prop-2-ynylhydrazine

C11H9FN2S — CID 105315537

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1cc2ccc(F)cc2s1
InChIInChI=1S/C11H9FN2S/c1-2-9(14-13)11-5-7-3-4-8(12)6-10(7)15-11/h1,3-6,9,14H,13H2
InChIKeyIFUYMJHKBTWCHZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.18
Rot. Bonds2

About 1-(6-fluoro-1-benzothiophen-2-yl)prop-2-ynylhydrazine

1-(6-fluoro-1-benzothiophen-2-yl)prop-2-ynylhydrazine (PubChem CID 105315537) has the molecular formula C11H9FN2S and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)prop-2-ynylhydrazine.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)prop-2-ynylhydrazine
PubChem CID105315537
Molecular FormulaC11H9FN2S
Molecular Weight220.27 g/mol
Exact Mass220.05
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1cc2ccc(F)cc2s1
InChIInChI=1S/C11H9FN2S/c1-2-9(14-13)11-5-7-3-4-8(12)6-10(7)15-11/h1,3-6,9,14H,13H2
InChIKeyIFUYMJHKBTWCHZ-UHFFFAOYSA-N
XLogP2.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.18
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(6-fluoro-1-benzothiophen-2-yl)prop-2-ynylhydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(6-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105283753
[(6-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methyl]hydrazine
CID 105285355
1-(6-fluoro-1-benzothiophen-2-yl)pentylhydrazine
CID 105293758
[(3,5-dimethylcyclohexyl)-(6-fluoro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105312186
1-(6-fluoro-1-benzothiophen-2-yl)nonylhydrazine
CID 105294406
1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 114979546
(6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 81115335
(2,5-dibromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81104668
(3S)-3-(6-fluoro-1-benzothiophen-2-yl)-3-hydroxypropanenitrile
CID 166011878
[1-(6-fluoro-1-benzothiophen-2-yl)-5,5-dimethylhexyl]hydrazine
CID 114211702
2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene
CID 81104395
methyl 2-amino-2-(6-fluoro-1-benzothiophen-2-yl)acetate
CID 115072235

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)prop-2-ynylhydrazine?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)prop-2-ynylhydrazine (CID 105315537) is 1-(6-fluoro-1-benzothiophen-2-yl)prop-2-ynylhydrazine.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)prop-2-ynylhydrazine?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)prop-2-ynylhydrazine is C#CC(NN)c1cc2ccc(F)cc2s1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)prop-2-ynylhydrazine?
The InChIKey is IFUYMJHKBTWCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2S/c1-2-9(14-13)11-5-7-3-4-8(12)6-10(7)15-11/h1,3-6,9,14H,13H2.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)prop-2-ynylhydrazine?
1-(6-fluoro-1-benzothiophen-2-yl)prop-2-ynylhydrazine has a molecular weight of 220.27 g/mol, XLogP of 2.18, 2 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)prop-2-ynylhydrazine is sourced from PubChem (CID 105315537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).