1-(3-bromo-4-fluorophenyl)pent-4-en-2-ylhydrazine

C11H14BrFN2 — CID 105269572

IUPAC1-(3-bromo-4-fluorophenyl)pent-4-en-2-ylhydrazine
SMILESC=CCC(Cc1ccc(F)c(Br)c1)NN
InChIInChI=1S/C11H14BrFN2/c1-2-3-9(15-14)6-8-4-5-11(13)10(12)7-8/h2,4-5,7,9,15H,1,3,6,14H2
InChIKeyUFOQAOKSZIHEDS-UHFFFAOYSA-N
MW273.15 g/mol
LogP2.54
Rot. Bonds5

About 1-(3-bromo-4-fluorophenyl)pent-4-en-2-ylhydrazine

1-(3-bromo-4-fluorophenyl)pent-4-en-2-ylhydrazine (PubChem CID 105269572) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)pent-4-en-2-ylhydrazine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)pent-4-en-2-ylhydrazine
PubChem CID105269572
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name1-(3-bromo-4-fluorophenyl)pent-4-en-2-ylhydrazine
SMILESC=CCC(Cc1ccc(F)c(Br)c1)NN
InChIInChI=1S/C11H14BrFN2/c1-2-3-9(15-14)6-8-4-5-11(13)10(12)7-8/h2,4-5,7,9,15H,1,3,6,14H2
InChIKeyUFOQAOKSZIHEDS-UHFFFAOYSA-N
XLogP2.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 52.54
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-bromo-4-fluorophenyl)-3-(4-chlorophenyl)propan-2-yl]hydrazine
CID 105197541
[1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine
CID 105253974
[1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170422
[1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105224905
[1-(3-bromo-4-fluorophenyl)-5-methoxy-4-methylpentan-2-yl]hydrazine
CID 105290502
1-(3-bromo-4-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
CID 63412804
[1-(3-bromo-4-fluorophenyl)-5-ethoxypentan-2-yl]hydrazine
CID 105290427
[2-(3-bromo-4-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine
CID 114019518
1-(2-bromophenyl)pent-4-en-2-ylhydrazine
CID 105214960
1-[4-(trifluoromethoxy)phenyl]pent-4-en-2-ylhydrazine
CID 105269576
1-(3-bromothiophen-2-yl)pent-4-en-2-ylhydrazine
CID 105269766
[2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)ethyl]hydrazine
CID 105216503

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)pent-4-en-2-ylhydrazine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)pent-4-en-2-ylhydrazine (CID 105269572) is 1-(3-bromo-4-fluorophenyl)pent-4-en-2-ylhydrazine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)pent-4-en-2-ylhydrazine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)pent-4-en-2-ylhydrazine is C=CCC(Cc1ccc(F)c(Br)c1)NN.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)pent-4-en-2-ylhydrazine?
The InChIKey is UFOQAOKSZIHEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c1-2-3-9(15-14)6-8-4-5-11(13)10(12)7-8/h2,4-5,7,9,15H,1,3,6,14H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)pent-4-en-2-ylhydrazine?
1-(3-bromo-4-fluorophenyl)pent-4-en-2-ylhydrazine has a molecular weight of 273.15 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)pent-4-en-2-ylhydrazine is sourced from PubChem (CID 105269572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).