[(5-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine

C15H14BrF3N2 — CID 105304800

IUPAC[(5-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESCc1ccc(Br)cc1C(NN)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H14BrF3N2/c1-9-6-7-10(16)8-12(9)14(21-20)11-4-2-3-5-13(11)15(17,18)19/h2-8,14,21H,20H2,1H3
InChIKeyHFACDWAVFNTKLG-UHFFFAOYSA-N
MW359.19 g/mol
LogP4.33
Rot. Bonds3

About [(5-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine

[(5-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine (PubChem CID 105304800) has the molecular formula C15H14BrF3N2 and a molecular weight of 359.19 g/mol. Its IUPAC name is [(5-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
PubChem CID105304800
Molecular FormulaC15H14BrF3N2
Molecular Weight359.19 g/mol
Exact Mass358.03
IUPAC Name[(5-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESCc1ccc(Br)cc1C(NN)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H14BrF3N2/c1-9-6-7-10(16)8-12(9)14(21-20)11-4-2-3-5-13(11)15(17,18)19/h2-8,14,21H,20H2,1H3
InChIKeyHFACDWAVFNTKLG-UHFFFAOYSA-N
XLogP4.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.19
LogP ≤ 54.33
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-(5-bromo-2-methylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853969
[(5-bromo-2-methylphenyl)-naphthalen-1-ylmethyl]hydrazine
CID 105301219
[[4-bromo-2-(trifluoromethyl)phenyl]-(2-chlorophenyl)methyl]hydrazine
CID 105212774
(4-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115853844
[(3-chloro-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105304823
[(2-bromo-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107997016
[(5-bromo-2-methylphenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105286710
[(2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107505146
[(3,5-dimethyl-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105266432
[(2-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 102759477
4-bromo-N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethyl)aniline
CID 60790956
[(4-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105217891

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine?
The IUPAC name of [(5-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine (CID 105304800) is [(5-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine.
What is the SMILES notation for [(5-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine?
The canonical SMILES for [(5-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine is Cc1ccc(Br)cc1C(NN)c1ccccc1C(F)(F)F.
What is the InChIKey of [(5-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine?
The InChIKey is HFACDWAVFNTKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF3N2/c1-9-6-7-10(16)8-12(9)14(21-20)11-4-2-3-5-13(11)15(17,18)19/h2-8,14,21H,20H2,1H3.
What are the key properties of [(5-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine?
[(5-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine has a molecular weight of 359.19 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine is sourced from PubChem (CID 105304800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).