1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine

C13H17FN2O — CID 105282165

IUPAC1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine
SMILESCCCC(NN)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C13H17FN2O/c1-3-4-11(16-15)13-8(2)10-7-9(14)5-6-12(10)17-13/h5-7,11,16H,3-4,15H2,1-2H3
InChIKeyWFDJORSIIRSLNF-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.18
Rot. Bonds4

About 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine (PubChem CID 105282165) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine.

Molecular Properties

Compound Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine
PubChem CID105282165
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine
SMILESCCCC(NN)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C13H17FN2O/c1-3-4-11(16-15)13-8(2)10-7-9(14)5-6-12(10)17-13/h5-7,11,16H,3-4,15H2,1-2H3
InChIKeyWFDJORSIIRSLNF-UHFFFAOYSA-N
XLogP3.18
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.18
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'}

Analyze 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine 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

N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105080133
[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylpentyl]hydrazine
CID 105298446
[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propan-2-yloxyethyl]hydrazine
CID 105323650
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-propylhexan-1-amine
CID 105129790
[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316414
N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)but-3-yn-1-amine
CID 105077210
2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 105151601
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol
CID 105111899
N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
CID 105163861
[1-(5-fluoro-1-benzofuran-2-yl)-2-propylpentyl]hydrazine
CID 105338630
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4-methylpent-4-en-1-ol
CID 105127366
2-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]pentanamide
CID 119306364

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine?
The IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine (CID 105282165) is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine.
What is the SMILES notation for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine?
The canonical SMILES for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine is CCCC(NN)c1oc2ccc(F)cc2c1C.
What is the InChIKey of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine?
The InChIKey is WFDJORSIIRSLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-3-4-11(16-15)13-8(2)10-7-9(14)5-6-12(10)17-13/h5-7,11,16H,3-4,15H2,1-2H3.
What are the key properties of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine?
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine has a molecular weight of 236.29 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine is sourced from PubChem (CID 105282165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).