1-(2-bromo-3,4-difluorophenyl)hex-5-enylhydrazine

C12H15BrF2N2 — CID 107541153

IUPAC1-(2-bromo-3,4-difluorophenyl)hex-5-enylhydrazine
SMILESC=CCCCC(NN)c1ccc(F)c(F)c1Br
InChIInChI=1S/C12H15BrF2N2/c1-2-3-4-5-10(17-16)8-6-7-9(14)12(15)11(8)13/h2,6-7,10,17H,1,3-5,16H2
InChIKeyIVBJBNNMRAJOPH-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.59
Rot. Bonds6

About 1-(2-bromo-3,4-difluorophenyl)hex-5-enylhydrazine

1-(2-bromo-3,4-difluorophenyl)hex-5-enylhydrazine (PubChem CID 107541153) has the molecular formula C12H15BrF2N2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 1-(2-bromo-3,4-difluorophenyl)hex-5-enylhydrazine.

Molecular Properties

Compound Name1-(2-bromo-3,4-difluorophenyl)hex-5-enylhydrazine
PubChem CID107541153
Molecular FormulaC12H15BrF2N2
Molecular Weight305.17 g/mol
Exact Mass304.04
IUPAC Name1-(2-bromo-3,4-difluorophenyl)hex-5-enylhydrazine
SMILESC=CCCCC(NN)c1ccc(F)c(F)c1Br
InChIInChI=1S/C12H15BrF2N2/c1-2-3-4-5-10(17-16)8-6-7-9(14)12(15)11(8)13/h2,6-7,10,17H,1,3-5,16H2
InChIKeyIVBJBNNMRAJOPH-UHFFFAOYSA-N
XLogP3.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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-(5-chloro-2-fluorophenyl)hex-5-enylhydrazine
CID 105280013
1-(2-bromo-3,4-difluorophenyl)-N-ethylpent-4-en-1-amine
CID 107539190
1-(2,4-dibromophenyl)hex-5-enylhydrazine
CID 107948272
1-(2-bromo-4-chlorophenyl)oct-7-enylhydrazine
CID 107997433
[1-(2-bromo-3,4-difluorophenyl)-2-cyclopropylethyl]hydrazine
CID 107541167
1-(3-chloro-4-fluorophenyl)hex-5-enylhydrazine
CID 105218048
1-(5-chloro-2-methylphenyl)hex-5-enylhydrazine
CID 105311435
1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine
CID 105311425
1-(4-bromo-3,5-dimethylphenyl)hex-5-enylhydrazine
CID 105279415
1-(3-methyl-4-pyridinyl)hex-5-enylhydrazine
CID 105261752
1-(2-bromofuran-3-yl)oct-7-enylhydrazine
CID 107012785
1-(2-ethylphenyl)hex-5-enylhydrazine
CID 105311405

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,4-difluorophenyl)hex-5-enylhydrazine?
The IUPAC name of 1-(2-bromo-3,4-difluorophenyl)hex-5-enylhydrazine (CID 107541153) is 1-(2-bromo-3,4-difluorophenyl)hex-5-enylhydrazine.
What is the SMILES notation for 1-(2-bromo-3,4-difluorophenyl)hex-5-enylhydrazine?
The canonical SMILES for 1-(2-bromo-3,4-difluorophenyl)hex-5-enylhydrazine is C=CCCCC(NN)c1ccc(F)c(F)c1Br.
What is the InChIKey of 1-(2-bromo-3,4-difluorophenyl)hex-5-enylhydrazine?
The InChIKey is IVBJBNNMRAJOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF2N2/c1-2-3-4-5-10(17-16)8-6-7-9(14)12(15)11(8)13/h2,6-7,10,17H,1,3-5,16H2.
What are the key properties of 1-(2-bromo-3,4-difluorophenyl)hex-5-enylhydrazine?
1-(2-bromo-3,4-difluorophenyl)hex-5-enylhydrazine has a molecular weight of 305.17 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,4-difluorophenyl)hex-5-enylhydrazine is sourced from PubChem (CID 107541153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).