[1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine

C12H18BrFN2 — CID 105202997

IUPAC[1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine
SMILESCC(C)(C)C(Cc1ccc(F)cc1Br)NN
InChIInChI=1S/C12H18BrFN2/c1-12(2,3)11(16-15)6-8-4-5-9(14)7-10(8)13/h4-5,7,11,16H,6,15H2,1-3H3
InChIKeyYDLRWFJQDWXNAH-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.01
Rot. Bonds3

About [1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine

[1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine (PubChem CID 105202997) has the molecular formula C12H18BrFN2 and a molecular weight of 289.19 g/mol. Its IUPAC name is [1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine
PubChem CID105202997
Molecular FormulaC12H18BrFN2
Molecular Weight289.19 g/mol
Exact Mass288.06
IUPAC Name[1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine
SMILESCC(C)(C)C(Cc1ccc(F)cc1Br)NN
InChIInChI=1S/C12H18BrFN2/c1-12(2,3)11(16-15)6-8-4-5-9(14)7-10(8)13/h4-5,7,11,16H,6,15H2,1-3H3
InChIKeyYDLRWFJQDWXNAH-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol
CID 62605952
[1-(2-bromo-4-fluorophenyl)-3-ethylpentan-2-yl]hydrazine
CID 105296590
1-(2-bromo-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79053380
1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine
CID 62599843
4-(2-bromo-4-fluorophenyl)-N-tert-butyl-2,3-dimethylbutan-1-amine
CID 81016299
[2-(2-bromo-4-fluorophenyl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 105253344
[2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105194059
2-[(2-bromo-4-fluorophenyl)methyl]-N-tert-butyl-3-methylbutan-1-amine
CID 63520977
[2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine
CID 107005620
[1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225306
1-(2-bromo-4-fluorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine
CID 116760800
[1-(2-bromo-4-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105296748

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine (CID 105202997) is [1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine is CC(C)(C)C(Cc1ccc(F)cc1Br)NN.
What is the InChIKey of [1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine?
The InChIKey is YDLRWFJQDWXNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrFN2/c1-12(2,3)11(16-15)6-8-4-5-9(14)7-10(8)13/h4-5,7,11,16H,6,15H2,1-3H3.
What are the key properties of [1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine?
[1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine has a molecular weight of 289.19 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine is sourced from PubChem (CID 105202997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).