[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine

C12H16BrF3N2 — CID 105325831

IUPAC[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine
SMILESCCC(C)C(NN)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C12H16BrF3N2/c1-3-7(2)11(18-17)8-4-5-10(13)9(6-8)12(14,15)16/h4-7,11,18H,3,17H2,1-2H3
InChIKeyJCFIICCKZWXZFU-UHFFFAOYSA-N
MW325.17 g/mol
LogP4.02
Rot. Bonds4

About [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine

[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine (PubChem CID 105325831) has the molecular formula C12H16BrF3N2 and a molecular weight of 325.17 g/mol. Its IUPAC name is [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine.

Molecular Properties

Compound Name[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine
PubChem CID105325831
Molecular FormulaC12H16BrF3N2
Molecular Weight325.17 g/mol
Exact Mass324.04
IUPAC Name[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine
SMILESCCC(C)C(NN)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C12H16BrF3N2/c1-3-7(2)11(18-17)8-4-5-10(13)9(6-8)12(14,15)16/h4-7,11,18H,3,17H2,1-2H3
InChIKeyJCFIICCKZWXZFU-UHFFFAOYSA-N
XLogP4.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 54.02
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-[4-bromo-3-(trifluoromethyl)phenyl]-N,2-dimethylbutan-1-amine
CID 105017562
[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine
CID 105325763
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylethanamine
CID 115781012
1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol
CID 115787663
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-propan-2-yloxyethanamine
CID 105013086
1-[4-bromo-3-(trifluoromethyl)phenyl]butan-1-amine
CID 114982015
[[4-bromo-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methyl]hydrazine
CID 105284949
1-[4-bromo-3-(trifluoromethyl)phenyl]heptan-1-amine
CID 115833310
[1-(4-ethylphenyl)-2-methylbutyl]hydrazine
CID 105197447
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-methyl-3-methylidenepentan-1-amine
CID 105006170
[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propylpentyl]hydrazine
CID 107292585
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethyl-3-methylidenepentan-1-amine
CID 105006031

Frequently Asked Questions

What is the IUPAC name of [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine?
The IUPAC name of [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine (CID 105325831) is [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine.
What is the SMILES notation for [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine?
The canonical SMILES for [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine is CCC(C)C(NN)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine?
The InChIKey is JCFIICCKZWXZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF3N2/c1-3-7(2)11(18-17)8-4-5-10(13)9(6-8)12(14,15)16/h4-7,11,18H,3,17H2,1-2H3.
What are the key properties of [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine?
[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine has a molecular weight of 325.17 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine is sourced from PubChem (CID 105325831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).