1-(4-bromo-3-fluorophenyl)heptylhydrazine

C13H20BrFN2 — CID 105294043

IUPAC1-(4-bromo-3-fluorophenyl)heptylhydrazine
SMILESCCCCCCC(NN)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H20BrFN2/c1-2-3-4-5-6-13(17-16)10-7-8-11(14)12(15)9-10/h7-9,13,17H,2-6,16H2,1H3
InChIKeyDQDFCWHPLDSQNB-UHFFFAOYSA-N
MW303.22 g/mol
LogP4.06
Rot. Bonds7

About 1-(4-bromo-3-fluorophenyl)heptylhydrazine

1-(4-bromo-3-fluorophenyl)heptylhydrazine (PubChem CID 105294043) has the molecular formula C13H20BrFN2 and a molecular weight of 303.22 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)heptylhydrazine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)heptylhydrazine
PubChem CID105294043
Molecular FormulaC13H20BrFN2
Molecular Weight303.22 g/mol
Exact Mass302.08
IUPAC Name1-(4-bromo-3-fluorophenyl)heptylhydrazine
SMILESCCCCCCC(NN)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H20BrFN2/c1-2-3-4-5-6-13(17-16)10-7-8-11(14)12(15)9-10/h7-9,13,17H,2-6,16H2,1H3
InChIKeyDQDFCWHPLDSQNB-UHFFFAOYSA-N
XLogP4.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-3-fluorophenyl)nonylhydrazine
CID 105294452
1-(4-bromo-3-chlorophenyl)undecylhydrazine
CID 105298371
[1-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine
CID 105310908
1-(4-bromo-3-fluorophenyl)nonan-1-ol
CID 81436906
1-(4-fluoro-3-methylphenyl)undecylhydrazine
CID 105204213
1-(3-chloro-4-fluorophenyl)decylhydrazine
CID 105218123
1-(4-fluoro-3-methylphenyl)hexylhydrazine
CID 105204173
1-(4-fluorophenyl)undecylhydrazine
CID 105192861
1-(3-bromo-5-fluorophenyl)decylhydrazine
CID 105238624
1-(4-fluoro-3-methoxyphenyl)octylhydrazine
CID 105293533
1-(3,5-difluorophenyl)hexylhydrazine
CID 105207948
1-(3,5-dibromophenyl)heptylhydrazine
CID 107978976

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)heptylhydrazine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)heptylhydrazine (CID 105294043) is 1-(4-bromo-3-fluorophenyl)heptylhydrazine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)heptylhydrazine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)heptylhydrazine is CCCCCCC(NN)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)heptylhydrazine?
The InChIKey is DQDFCWHPLDSQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFN2/c1-2-3-4-5-6-13(17-16)10-7-8-11(14)12(15)9-10/h7-9,13,17H,2-6,16H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)heptylhydrazine?
1-(4-bromo-3-fluorophenyl)heptylhydrazine has a molecular weight of 303.22 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)heptylhydrazine is sourced from PubChem (CID 105294043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).