[1-(5-chloro-2-fluorophenyl)-3-methylbut-2-enyl]hydrazine

C11H14ClFN2 — CID 105280246

IUPAC[1-(5-chloro-2-fluorophenyl)-3-methylbut-2-enyl]hydrazine
SMILESCC(C)=CC(NN)c1cc(Cl)ccc1F
InChIInChI=1S/C11H14ClFN2/c1-7(2)5-11(15-14)9-6-8(12)3-4-10(9)13/h3-6,11,15H,14H2,1-2H3
InChIKeyKIMHAKINBWNWMN-UHFFFAOYSA-N
MW228.70 g/mol
LogP2.95
Rot. Bonds3

About [1-(5-chloro-2-fluorophenyl)-3-methylbut-2-enyl]hydrazine

[1-(5-chloro-2-fluorophenyl)-3-methylbut-2-enyl]hydrazine (PubChem CID 105280246) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is [1-(5-chloro-2-fluorophenyl)-3-methylbut-2-enyl]hydrazine.

Molecular Properties

Compound Name[1-(5-chloro-2-fluorophenyl)-3-methylbut-2-enyl]hydrazine
PubChem CID105280246
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC Name[1-(5-chloro-2-fluorophenyl)-3-methylbut-2-enyl]hydrazine
SMILESCC(C)=CC(NN)c1cc(Cl)ccc1F
InChIInChI=1S/C11H14ClFN2/c1-7(2)5-11(15-14)9-6-8(12)3-4-10(9)13/h3-6,11,15H,14H2,1-2H3
InChIKeyKIMHAKINBWNWMN-UHFFFAOYSA-N
XLogP2.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-(5-chloro-2-fluorophenyl)-3-methylbut-2-enyl]hydrazine 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-(5-chloro-2-fluorophenyl)-3-methylbut-2-en-1-amine
CID 114885927
[3-methyl-1-(3,4,5-trifluorophenyl)but-2-enyl]hydrazine
CID 105208223
[1-(4-fluorophenyl)-3-methylbut-2-enyl]hydrazine
CID 105192857
[1-(3-chloro-4-pyridinyl)-3-methylbut-2-enyl]hydrazine
CID 105319871
[1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine
CID 105280086
[(5-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105280098
[(5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105280224
[3-methyl-1-(4-methylthiophen-3-yl)but-2-enyl]hydrazine
CID 105251950
1-(5-chloro-2-fluorophenyl)-2-hydrazinylethanol
CID 82649992
[(5-chloro-2-methylphenyl)-(2-fluorophenyl)methyl]hydrazine
CID 105292450
1-(5-chloro-2-methoxyphenyl)prop-2-enylhydrazine
CID 105318028
[(5-chloro-2-fluorophenyl)-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105280252

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-fluorophenyl)-3-methylbut-2-enyl]hydrazine?
The IUPAC name of [1-(5-chloro-2-fluorophenyl)-3-methylbut-2-enyl]hydrazine (CID 105280246) is [1-(5-chloro-2-fluorophenyl)-3-methylbut-2-enyl]hydrazine.
What is the SMILES notation for [1-(5-chloro-2-fluorophenyl)-3-methylbut-2-enyl]hydrazine?
The canonical SMILES for [1-(5-chloro-2-fluorophenyl)-3-methylbut-2-enyl]hydrazine is CC(C)=CC(NN)c1cc(Cl)ccc1F.
What is the InChIKey of [1-(5-chloro-2-fluorophenyl)-3-methylbut-2-enyl]hydrazine?
The InChIKey is KIMHAKINBWNWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2/c1-7(2)5-11(15-14)9-6-8(12)3-4-10(9)13/h3-6,11,15H,14H2,1-2H3.
What are the key properties of [1-(5-chloro-2-fluorophenyl)-3-methylbut-2-enyl]hydrazine?
[1-(5-chloro-2-fluorophenyl)-3-methylbut-2-enyl]hydrazine has a molecular weight of 228.70 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-fluorophenyl)-3-methylbut-2-enyl]hydrazine is sourced from PubChem (CID 105280246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).