[1-(4-bromo-2,6-difluorophenyl)-3-methylidenepentyl]hydrazine

C12H15BrF2N2 — CID 105320470

IUPAC[1-(4-bromo-2,6-difluorophenyl)-3-methylidenepentyl]hydrazine
SMILESC=C(CC)CC(NN)c1c(F)cc(Br)cc1F
InChIInChI=1S/C12H15BrF2N2/c1-3-7(2)4-11(17-16)12-9(14)5-8(13)6-10(12)15/h5-6,11,17H,2-4,16H2,1H3
InChIKeyORVBSHYDJMVSSH-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.59
Rot. Bonds5

About [1-(4-bromo-2,6-difluorophenyl)-3-methylidenepentyl]hydrazine

[1-(4-bromo-2,6-difluorophenyl)-3-methylidenepentyl]hydrazine (PubChem CID 105320470) has the molecular formula C12H15BrF2N2 and a molecular weight of 305.17 g/mol. Its IUPAC name is [1-(4-bromo-2,6-difluorophenyl)-3-methylidenepentyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-2,6-difluorophenyl)-3-methylidenepentyl]hydrazine
PubChem CID105320470
Molecular FormulaC12H15BrF2N2
Molecular Weight305.17 g/mol
Exact Mass304.04
IUPAC Name[1-(4-bromo-2,6-difluorophenyl)-3-methylidenepentyl]hydrazine
SMILESC=C(CC)CC(NN)c1c(F)cc(Br)cc1F
InChIInChI=1S/C12H15BrF2N2/c1-3-7(2)4-11(17-16)12-9(14)5-8(13)6-10(12)15/h5-6,11,17H,2-4,16H2,1H3
InChIKeyORVBSHYDJMVSSH-UHFFFAOYSA-N
XLogP3.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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': '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-bromo-2-fluorophenyl)-3-methylidenepentyl]hydrazine
CID 105281036
[1-(3-fluoro-5-methylphenyl)-3-methylidenepentyl]hydrazine
CID 105257527
1-(3-bromo-5-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine
CID 66424843
[1-(4-bromo-2-methoxyphenyl)-3-methylidenepentyl]hydrazine
CID 105320464
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylidenepentan-1-amine
CID 114894898
(3-methylidene-1-phenylpentyl)hydrazine
CID 105199375
1-(3-bromo-5-fluorophenyl)-3-methylidenepentan-1-ol
CID 66426020
[1-(4-bromo-2,6-difluorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066747
[1-(2,6-difluorophenyl)-3-methylbut-3-enyl]hydrazine
CID 105246729
[1-(2-chloro-4-methylphenyl)-3-methylidenepentyl]hydrazine
CID 106860054
[1-(4-bromo-2,6-difluorophenyl)-3-phenylpropyl]hydrazine
CID 105285966
[1-(4-bromo-2,6-difluorophenyl)-2-(3-bromophenyl)ethyl]hydrazine
CID 105284643

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2,6-difluorophenyl)-3-methylidenepentyl]hydrazine?
The IUPAC name of [1-(4-bromo-2,6-difluorophenyl)-3-methylidenepentyl]hydrazine (CID 105320470) is [1-(4-bromo-2,6-difluorophenyl)-3-methylidenepentyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-2,6-difluorophenyl)-3-methylidenepentyl]hydrazine?
The canonical SMILES for [1-(4-bromo-2,6-difluorophenyl)-3-methylidenepentyl]hydrazine is C=C(CC)CC(NN)c1c(F)cc(Br)cc1F.
What is the InChIKey of [1-(4-bromo-2,6-difluorophenyl)-3-methylidenepentyl]hydrazine?
The InChIKey is ORVBSHYDJMVSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF2N2/c1-3-7(2)4-11(17-16)12-9(14)5-8(13)6-10(12)15/h5-6,11,17H,2-4,16H2,1H3.
What are the key properties of [1-(4-bromo-2,6-difluorophenyl)-3-methylidenepentyl]hydrazine?
[1-(4-bromo-2,6-difluorophenyl)-3-methylidenepentyl]hydrazine has a molecular weight of 305.17 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2,6-difluorophenyl)-3-methylidenepentyl]hydrazine is sourced from PubChem (CID 105320470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).