1-(2-fluoro-4-methoxyphenyl)but-3-enylhydrazine

C11H15FN2O — CID 105256934

IUPAC1-(2-fluoro-4-methoxyphenyl)but-3-enylhydrazine
SMILESC=CCC(NN)c1ccc(OC)cc1F
InChIInChI=1S/C11H15FN2O/c1-3-4-11(14-13)9-6-5-8(15-2)7-10(9)12/h3,5-7,11,14H,1,4,13H2,2H3
InChIKeyQXZNZJGYHHSQGY-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.91
Rot. Bonds5

About 1-(2-fluoro-4-methoxyphenyl)but-3-enylhydrazine

1-(2-fluoro-4-methoxyphenyl)but-3-enylhydrazine (PubChem CID 105256934) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)but-3-enylhydrazine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)but-3-enylhydrazine
PubChem CID105256934
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name1-(2-fluoro-4-methoxyphenyl)but-3-enylhydrazine
SMILESC=CCC(NN)c1ccc(OC)cc1F
InChIInChI=1S/C11H15FN2O/c1-3-4-11(14-13)9-6-5-8(15-2)7-10(9)12/h3,5-7,11,14H,1,4,13H2,2H3
InChIKeyQXZNZJGYHHSQGY-UHFFFAOYSA-N
XLogP1.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.91
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

(1S)-1-(2-fluoro-4-methoxyphenyl)but-3-en-1-amine
CID 55269234
(1R)-1-(2-fluoro-4-methoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171200072
[1-(2-fluoro-4-methoxyphenyl)-3-methoxypropyl]hydrazine
CID 103397541
[2-ethoxy-1-(2-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105256872
[1-(2-fluoro-4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine
CID 103397758
[1-(2-fluoro-4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 103397813
1-(2-fluoro-4-methoxyphenyl)heptylhydrazine
CID 105256947
[1-(2-fluoro-4-methoxyphenyl)-2-propoxyethyl]hydrazine
CID 105256812
[1-(2-fluoro-4-methoxyphenyl)-3-methylhexyl]hydrazine
CID 105256894
[5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)pentyl]hydrazine
CID 105256874
[1-(2-fluoro-4-methoxyphenyl)-3-(2-methoxyethoxy)propyl]hydrazine
CID 103397694
[2-(2,3-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105256977

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)but-3-enylhydrazine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)but-3-enylhydrazine (CID 105256934) is 1-(2-fluoro-4-methoxyphenyl)but-3-enylhydrazine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)but-3-enylhydrazine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)but-3-enylhydrazine is C=CCC(NN)c1ccc(OC)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)but-3-enylhydrazine?
The InChIKey is QXZNZJGYHHSQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-3-4-11(14-13)9-6-5-8(15-2)7-10(9)12/h3,5-7,11,14H,1,4,13H2,2H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)but-3-enylhydrazine?
1-(2-fluoro-4-methoxyphenyl)but-3-enylhydrazine has a molecular weight of 210.25 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)but-3-enylhydrazine is sourced from PubChem (CID 105256934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).