[1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine

C12H16ClFN2 — CID 105280086

IUPAC[1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine
SMILESC=C(C)CCC(NN)c1cc(Cl)ccc1F
InChIInChI=1S/C12H16ClFN2/c1-8(2)3-6-12(16-15)10-7-9(13)4-5-11(10)14/h4-5,7,12,16H,1,3,6,15H2,2H3
InChIKeyLNXBZVFEIMTKPD-UHFFFAOYSA-N
MW242.72 g/mol
LogP3.34
Rot. Bonds5

About [1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine

[1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine (PubChem CID 105280086) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is [1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine.

Molecular Properties

Compound Name[1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine
PubChem CID105280086
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name[1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine
SMILESC=C(C)CCC(NN)c1cc(Cl)ccc1F
InChIInChI=1S/C12H16ClFN2/c1-8(2)3-6-12(16-15)10-7-9(13)4-5-11(10)14/h4-5,7,12,16H,1,3,6,15H2,2H3
InChIKeyLNXBZVFEIMTKPD-UHFFFAOYSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 53.34
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'}

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Related Compounds

[1-(3-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine
CID 105223337
[1-(5-chloro-2-fluorophenyl)-3-cyclopropylpropyl]hydrazine
CID 105280162
1-(5-chloro-2-fluorophenyl)hex-5-enylhydrazine
CID 105280013
1-(4-chloro-2-fluorophenyl)-4-methylpent-4-en-1-amine
CID 114474679
[1-(5-chloro-2-fluorophenyl)-4-phenylbutyl]hydrazine
CID 105279983
[1-(4-fluoro-3-methoxyphenyl)-4-methylpent-4-enyl]hydrazine
CID 105335863
[1-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine
CID 105257099
[1-(2,5-dichlorophenyl)-4-methylpentyl]hydrazine
CID 105207581
[1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethyl]hydrazine
CID 105280039
4-bromo-2-(1-hydrazinyl-4-methylpent-4-enyl)aniline
CID 105263475
[1-(4-chloro-3-methylphenyl)-4-methylpent-4-enyl]hydrazine
CID 105335848
1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114028358

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine?
The IUPAC name of [1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine (CID 105280086) is [1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine.
What is the SMILES notation for [1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine?
The canonical SMILES for [1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine is C=C(C)CCC(NN)c1cc(Cl)ccc1F.
What is the InChIKey of [1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine?
The InChIKey is LNXBZVFEIMTKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c1-8(2)3-6-12(16-15)10-7-9(13)4-5-11(10)14/h4-5,7,12,16H,1,3,6,15H2,2H3.
What are the key properties of [1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine?
[1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine has a molecular weight of 242.72 g/mol, XLogP of 3.34, 5 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)-4-methylpent-4-enyl]hydrazine is sourced from PubChem (CID 105280086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).