[1-(3-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine

C12H16ClFN2 — CID 105223337

IUPAC[1-(3-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine
SMILESC=C(C)CCC(NN)c1cccc(Cl)c1F
InChIInChI=1S/C12H16ClFN2/c1-8(2)6-7-11(16-15)9-4-3-5-10(13)12(9)14/h3-5,11,16H,1,6-7,15H2,2H3
InChIKeyAJISYCQRYPKHCK-UHFFFAOYSA-N
MW242.72 g/mol
LogP3.34
Rot. Bonds5

About [1-(3-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine

[1-(3-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine (PubChem CID 105223337) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is [1-(3-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine
PubChem CID105223337
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name[1-(3-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine
SMILESC=C(C)CCC(NN)c1cccc(Cl)c1F
InChIInChI=1S/C12H16ClFN2/c1-8(2)6-7-11(16-15)9-4-3-5-10(13)12(9)14/h3-5,11,16H,1,6-7,15H2,2H3
InChIKeyAJISYCQRYPKHCK-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)-N,4-dimethylpent-4-en-1-amine
CID 114474819
[1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine
CID 105280086
[1-(3-chloro-2-fluorophenyl)-3-ethylpentyl]hydrazine
CID 105223483
[1-(4-chloro-3-methylphenyl)-4-methylpent-4-enyl]hydrazine
CID 105335848
[1-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine
CID 105257099
(2R)-2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 130706318
2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 112704196
[1-(3-chloro-2-fluorophenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105223440
[(3-chloro-2-fluorophenyl)-(2-chlorophenyl)methyl]hydrazine
CID 105223242
1-(2-chlorophenyl)butylhydrazine
CID 105202004
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79177729
[1-(3-chloro-2-fluorophenyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105223436

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine?
The IUPAC name of [1-(3-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine (CID 105223337) is [1-(3-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine.
What is the SMILES notation for [1-(3-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine?
The canonical SMILES for [1-(3-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine is C=C(C)CCC(NN)c1cccc(Cl)c1F.
What is the InChIKey of [1-(3-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine?
The InChIKey is AJISYCQRYPKHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c1-8(2)6-7-11(16-15)9-4-3-5-10(13)12(9)14/h3-5,11,16H,1,6-7,15H2,2H3.
What are the key properties of [1-(3-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine?
[1-(3-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-(3-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine is sourced from PubChem (CID 105223337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).