1-(5-bromo-2-fluorophenyl)but-3-ynylhydrazine

C10H10BrFN2 — CID 105280681

IUPAC1-(5-bromo-2-fluorophenyl)but-3-ynylhydrazine
SMILESC#CCC(NN)c1cc(Br)ccc1F
InChIInChI=1S/C10H10BrFN2/c1-2-3-10(14-13)8-6-7(11)4-5-9(8)12/h1,4-6,10,14H,3,13H2
InChIKeyJAMFKINCLZKUFF-UHFFFAOYSA-N
MW257.11 g/mol
LogP2.12
Rot. Bonds3

About 1-(5-bromo-2-fluorophenyl)but-3-ynylhydrazine

1-(5-bromo-2-fluorophenyl)but-3-ynylhydrazine (PubChem CID 105280681) has the molecular formula C10H10BrFN2 and a molecular weight of 257.11 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)but-3-ynylhydrazine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)but-3-ynylhydrazine
PubChem CID105280681
Molecular FormulaC10H10BrFN2
Molecular Weight257.11 g/mol
Exact Mass256.00
IUPAC Name1-(5-bromo-2-fluorophenyl)but-3-ynylhydrazine
SMILESC#CCC(NN)c1cc(Br)ccc1F
InChIInChI=1S/C10H10BrFN2/c1-2-3-10(14-13)8-6-7(11)4-5-9(8)12/h1,4-6,10,14H,3,13H2
InChIKeyJAMFKINCLZKUFF-UHFFFAOYSA-N
XLogP2.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(5-bromo-2-fluorophenyl)-3-ethylpentyl]hydrazine
CID 105280759
[1-(5-bromo-2-fluorophenyl)-3-methylhexyl]hydrazine
CID 105280659
[1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-fluorophenyl)ethyl]hydrazine
CID 103044137
1-(5-bromo-2-fluorophenyl)-N-ethylpent-4-yn-1-amine
CID 114894905
1-(2,4,6-trifluorophenyl)but-3-ynylhydrazine
CID 105281540
1-(2,5-dibromothiophen-3-yl)but-3-ynylhydrazine
CID 107970024
1-(2,4-dibromophenyl)pent-4-ynylhydrazine
CID 107948243
[2-(5-bromo-2-fluorophenyl)-1-(2-fluorophenyl)ethyl]hydrazine
CID 105216839
1-(2-bromo-5-methoxyphenyl)but-3-ynylhydrazine
CID 105281554
[1-(4-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethyl]hydrazine
CID 105280917
1-(4-bromo-3-methylphenyl)but-3-ynylhydrazine
CID 105281427
[1-(5-bromo-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105280778

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)but-3-ynylhydrazine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)but-3-ynylhydrazine (CID 105280681) is 1-(5-bromo-2-fluorophenyl)but-3-ynylhydrazine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)but-3-ynylhydrazine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)but-3-ynylhydrazine is C#CCC(NN)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)but-3-ynylhydrazine?
The InChIKey is JAMFKINCLZKUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2/c1-2-3-10(14-13)8-6-7(11)4-5-9(8)12/h1,4-6,10,14H,3,13H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)but-3-ynylhydrazine?
1-(5-bromo-2-fluorophenyl)but-3-ynylhydrazine has a molecular weight of 257.11 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)but-3-ynylhydrazine is sourced from PubChem (CID 105280681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).