1-(3,4-dichlorophenyl)but-3-yn-2-ylhydrazine

C10H10Cl2N2 — CID 105210833

IUPAC1-(3,4-dichlorophenyl)but-3-yn-2-ylhydrazine
SMILESC#CC(Cc1ccc(Cl)c(Cl)c1)NN
InChIInChI=1S/C10H10Cl2N2/c1-2-8(14-13)5-7-3-4-9(11)10(12)6-7/h1,3-4,6,8,14H,5,13H2
InChIKeyJSSXXWSNLHYWQG-UHFFFAOYSA-N
MW229.11 g/mol
LogP2.00
Rot. Bonds3

About 1-(3,4-dichlorophenyl)but-3-yn-2-ylhydrazine

1-(3,4-dichlorophenyl)but-3-yn-2-ylhydrazine (PubChem CID 105210833) has the molecular formula C10H10Cl2N2 and a molecular weight of 229.11 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)but-3-yn-2-ylhydrazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)but-3-yn-2-ylhydrazine
PubChem CID105210833
Molecular FormulaC10H10Cl2N2
Molecular Weight229.11 g/mol
Exact Mass228.02
IUPAC Name1-(3,4-dichlorophenyl)but-3-yn-2-ylhydrazine
SMILESC#CC(Cc1ccc(Cl)c(Cl)c1)NN
InChIInChI=1S/C10H10Cl2N2/c1-2-8(14-13)5-7-3-4-9(11)10(12)6-7/h1,3-4,6,8,14H,5,13H2
InChIKeyJSSXXWSNLHYWQG-UHFFFAOYSA-N
XLogP2.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

1-(2,6-dichlorophenyl)but-3-yn-2-ylhydrazine
CID 105209754
[1-(3,4-dichlorophenyl)-4-methylpentan-2-yl]hydrazine
CID 105198848
[2-(3,4-dichlorophenyl)-1-phenylethyl]hydrazine
CID 105199186
[1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)ethyl]hydrazine
CID 105210856
[1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105210893
[2-(3,4-dichlorophenyl)-1-(4-fluorophenyl)ethyl]hydrazine
CID 105192617
[1-(3,4-dichlorophenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
CID 105225978
[1-(3-chloro-2-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine
CID 105264302
[1-(3-bromo-2-chlorophenyl)-2-(3,4-dichlorophenyl)ethyl]hydrazine
CID 105296858
[2-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethyl]hydrazine
CID 105210798
[1-(6-chloro-3-pyridinyl)-2-(3,4-dichlorophenyl)ethyl]hydrazine
CID 105252947
1-(3,4-dichlorophenyl)heptan-2-ylhydrazine
CID 105210910

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)but-3-yn-2-ylhydrazine?
The IUPAC name of 1-(3,4-dichlorophenyl)but-3-yn-2-ylhydrazine (CID 105210833) is 1-(3,4-dichlorophenyl)but-3-yn-2-ylhydrazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)but-3-yn-2-ylhydrazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)but-3-yn-2-ylhydrazine is C#CC(Cc1ccc(Cl)c(Cl)c1)NN.
What is the InChIKey of 1-(3,4-dichlorophenyl)but-3-yn-2-ylhydrazine?
The InChIKey is JSSXXWSNLHYWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2/c1-2-8(14-13)5-7-3-4-9(11)10(12)6-7/h1,3-4,6,8,14H,5,13H2.
What are the key properties of 1-(3,4-dichlorophenyl)but-3-yn-2-ylhydrazine?
1-(3,4-dichlorophenyl)but-3-yn-2-ylhydrazine has a molecular weight of 229.11 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)but-3-yn-2-ylhydrazine is sourced from PubChem (CID 105210833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).