[1-(5-bromo-2-fluorophenyl)-3-methylpentan-2-yl]hydrazine

C12H18BrFN2 — CID 105219642

IUPAC[1-(5-bromo-2-fluorophenyl)-3-methylpentan-2-yl]hydrazine
SMILESCCC(C)C(Cc1cc(Br)ccc1F)NN
InChIInChI=1S/C12H18BrFN2/c1-3-8(2)12(16-15)7-9-6-10(13)4-5-11(9)14/h4-6,8,12,16H,3,7,15H2,1-2H3
InChIKeyNQTWHOVHDKLDHJ-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.01
Rot. Bonds5

About [1-(5-bromo-2-fluorophenyl)-3-methylpentan-2-yl]hydrazine

[1-(5-bromo-2-fluorophenyl)-3-methylpentan-2-yl]hydrazine (PubChem CID 105219642) has the molecular formula C12H18BrFN2 and a molecular weight of 289.19 g/mol. Its IUPAC name is [1-(5-bromo-2-fluorophenyl)-3-methylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-2-fluorophenyl)-3-methylpentan-2-yl]hydrazine
PubChem CID105219642
Molecular FormulaC12H18BrFN2
Molecular Weight289.19 g/mol
Exact Mass288.06
IUPAC Name[1-(5-bromo-2-fluorophenyl)-3-methylpentan-2-yl]hydrazine
SMILESCCC(C)C(Cc1cc(Br)ccc1F)NN
InChIInChI=1S/C12H18BrFN2/c1-3-8(2)12(16-15)7-9-6-10(13)4-5-11(9)14/h4-6,8,12,16H,3,7,15H2,1-2H3
InChIKeyNQTWHOVHDKLDHJ-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.01
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'}

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Related Compounds

[1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105219724
4-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
CID 60995995
[1-(5-bromo-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245363
[1-(2-bromophenyl)-3-methylpentan-2-yl]hydrazine
CID 105214988
[1-(4-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethyl]hydrazine
CID 105280917
[2-(5-bromo-2-fluorophenyl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 105253385
1-(5-bromo-2-fluorophenyl)-N,4-dimethylhexan-2-amine
CID 115839350
[1-(5-bromo-2-fluorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225719
[2-(5-bromo-2-fluorophenyl)-1-(2-ethylphenyl)ethyl]hydrazine
CID 105294990
1-(5-bromo-2-fluorophenyl)-N-methyl-3-phenylpentan-2-amine
CID 115839364
ethyl 2-bromo-3-(5-bromo-2-fluorophenyl)propanoate
CID 83197556
1-(5-bromo-2-fluorophenyl)-3-propan-2-yloxypropan-2-amine
CID 105131839

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-fluorophenyl)-3-methylpentan-2-yl]hydrazine?
The IUPAC name of [1-(5-bromo-2-fluorophenyl)-3-methylpentan-2-yl]hydrazine (CID 105219642) is [1-(5-bromo-2-fluorophenyl)-3-methylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-bromo-2-fluorophenyl)-3-methylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(5-bromo-2-fluorophenyl)-3-methylpentan-2-yl]hydrazine is CCC(C)C(Cc1cc(Br)ccc1F)NN.
What is the InChIKey of [1-(5-bromo-2-fluorophenyl)-3-methylpentan-2-yl]hydrazine?
The InChIKey is NQTWHOVHDKLDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrFN2/c1-3-8(2)12(16-15)7-9-6-10(13)4-5-11(9)14/h4-6,8,12,16H,3,7,15H2,1-2H3.
What are the key properties of [1-(5-bromo-2-fluorophenyl)-3-methylpentan-2-yl]hydrazine?
[1-(5-bromo-2-fluorophenyl)-3-methylpentan-2-yl]hydrazine has a molecular weight of 289.19 g/mol, XLogP of 3.01, 5 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)-3-methylpentan-2-yl]hydrazine is sourced from PubChem (CID 105219642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).