[1-(4-fluoro-3-methoxyphenyl)-4-methylpent-4-enyl]hydrazine

C13H19FN2O — CID 105335863

IUPAC[1-(4-fluoro-3-methoxyphenyl)-4-methylpent-4-enyl]hydrazine
SMILESC=C(C)CCC(NN)c1ccc(F)c(OC)c1
InChIInChI=1S/C13H19FN2O/c1-9(2)4-7-12(16-15)10-5-6-11(14)13(8-10)17-3/h5-6,8,12,16H,1,4,7,15H2,2-3H3
InChIKeyYSVOPARGPFNQCW-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.69
Rot. Bonds6

About [1-(4-fluoro-3-methoxyphenyl)-4-methylpent-4-enyl]hydrazine

[1-(4-fluoro-3-methoxyphenyl)-4-methylpent-4-enyl]hydrazine (PubChem CID 105335863) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is [1-(4-fluoro-3-methoxyphenyl)-4-methylpent-4-enyl]hydrazine.

Molecular Properties

Compound Name[1-(4-fluoro-3-methoxyphenyl)-4-methylpent-4-enyl]hydrazine
PubChem CID105335863
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name[1-(4-fluoro-3-methoxyphenyl)-4-methylpent-4-enyl]hydrazine
SMILESC=C(C)CCC(NN)c1ccc(F)c(OC)c1
InChIInChI=1S/C13H19FN2O/c1-9(2)4-7-12(16-15)10-5-6-11(14)13(8-10)17-3/h5-6,8,12,16H,1,4,7,15H2,2-3H3
InChIKeyYSVOPARGPFNQCW-UHFFFAOYSA-N
XLogP2.69
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-fluoro-3-methoxyphenyl)pent-4-enylhydrazine
CID 105311539
1-(4-fluoro-3-methoxyphenyl)pentylhydrazine
CID 105293751
[3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propyl]hydrazine
CID 105315091
1-(4-fluoro-3-methoxyphenyl)octylhydrazine
CID 105293533
1-(4-fluoro-3-methoxyphenyl)-3-methylbut-3-en-1-ol
CID 115816783
[2-ethoxy-1-(4-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105321213
[1-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine
CID 105257099
[1-(4-fluoro-3-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105340825
[4-methyl-1-(4-methylphenyl)pent-4-enyl]hydrazine
CID 105194324
[1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine
CID 105280086
[2-cyclopentyl-1-(4-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105299048
[1-(4-chloro-3-methylphenyl)-4-methylpent-4-enyl]hydrazine
CID 105335848

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-3-methoxyphenyl)-4-methylpent-4-enyl]hydrazine?
The IUPAC name of [1-(4-fluoro-3-methoxyphenyl)-4-methylpent-4-enyl]hydrazine (CID 105335863) is [1-(4-fluoro-3-methoxyphenyl)-4-methylpent-4-enyl]hydrazine.
What is the SMILES notation for [1-(4-fluoro-3-methoxyphenyl)-4-methylpent-4-enyl]hydrazine?
The canonical SMILES for [1-(4-fluoro-3-methoxyphenyl)-4-methylpent-4-enyl]hydrazine is C=C(C)CCC(NN)c1ccc(F)c(OC)c1.
What is the InChIKey of [1-(4-fluoro-3-methoxyphenyl)-4-methylpent-4-enyl]hydrazine?
The InChIKey is YSVOPARGPFNQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(2)4-7-12(16-15)10-5-6-11(14)13(8-10)17-3/h5-6,8,12,16H,1,4,7,15H2,2-3H3.
What are the key properties of [1-(4-fluoro-3-methoxyphenyl)-4-methylpent-4-enyl]hydrazine?
[1-(4-fluoro-3-methoxyphenyl)-4-methylpent-4-enyl]hydrazine has a molecular weight of 238.31 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-3-methoxyphenyl)-4-methylpent-4-enyl]hydrazine is sourced from PubChem (CID 105335863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).