1-(4-fluoro-3-methoxyphenyl)pent-4-enylhydrazine

C12H17FN2O — CID 105311539

IUPAC1-(4-fluoro-3-methoxyphenyl)pent-4-enylhydrazine
SMILESC=CCCC(NN)c1ccc(F)c(OC)c1
InChIInChI=1S/C12H17FN2O/c1-3-4-5-11(15-14)9-6-7-10(13)12(8-9)16-2/h3,6-8,11,15H,1,4-5,14H2,2H3
InChIKeyXSNWDRVEFNTMPZ-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.30
Rot. Bonds6

About 1-(4-fluoro-3-methoxyphenyl)pent-4-enylhydrazine

1-(4-fluoro-3-methoxyphenyl)pent-4-enylhydrazine (PubChem CID 105311539) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)pent-4-enylhydrazine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)pent-4-enylhydrazine
PubChem CID105311539
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-(4-fluoro-3-methoxyphenyl)pent-4-enylhydrazine
SMILESC=CCCC(NN)c1ccc(F)c(OC)c1
InChIInChI=1S/C12H17FN2O/c1-3-4-5-11(15-14)9-6-7-10(13)12(8-9)16-2/h3,6-8,11,15H,1,4-5,14H2,2H3
InChIKeyXSNWDRVEFNTMPZ-UHFFFAOYSA-N
XLogP2.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.30
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)pentylhydrazine
CID 105293751
[1-(4-fluoro-3-methoxyphenyl)-4-methylpent-4-enyl]hydrazine
CID 105335863
1-(3-chloro-4-fluorophenyl)pent-4-enylhydrazine
CID 105218132
1-(3-bromo-4-fluorophenyl)pent-4-enylhydrazine
CID 105264095
1-(4-fluoro-3-methoxyphenyl)octylhydrazine
CID 105293533
1-(3,4-dimethoxyphenyl)oct-7-enylhydrazine
CID 107012370
[3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propyl]hydrazine
CID 105315091
N-ethyl-1-(4-fluoro-3-methoxyphenyl)oct-7-en-1-amine
CID 107012046
[2-cyclopentyl-1-(4-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105299048
[2-ethoxy-1-(4-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105321213
[1-(4-fluoro-3-methoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314273
1-(3-chloro-4-fluorophenyl)hex-5-enylhydrazine
CID 105218048

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)pent-4-enylhydrazine?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)pent-4-enylhydrazine (CID 105311539) is 1-(4-fluoro-3-methoxyphenyl)pent-4-enylhydrazine.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)pent-4-enylhydrazine?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)pent-4-enylhydrazine is C=CCCC(NN)c1ccc(F)c(OC)c1.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)pent-4-enylhydrazine?
The InChIKey is XSNWDRVEFNTMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-3-4-5-11(15-14)9-6-7-10(13)12(8-9)16-2/h3,6-8,11,15H,1,4-5,14H2,2H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)pent-4-enylhydrazine?
1-(4-fluoro-3-methoxyphenyl)pent-4-enylhydrazine has a molecular weight of 224.28 g/mol, XLogP of 2.30, 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)pent-4-enylhydrazine is sourced from PubChem (CID 105311539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).