[[4-bromo-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methyl]hydrazine

C15H14BrF3N2 — CID 105284949

IUPAC[[4-bromo-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methyl]hydrazine
SMILESCc1cccc(C(NN)c2ccc(Br)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H14BrF3N2/c1-9-3-2-4-10(7-9)14(21-20)11-5-6-13(16)12(8-11)15(17,18)19/h2-8,14,21H,20H2,1H3
InChIKeyAKQFUWTZKFXASQ-UHFFFAOYSA-N
MW359.19 g/mol
LogP4.33
Rot. Bonds3

About [[4-bromo-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methyl]hydrazine

[[4-bromo-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methyl]hydrazine (PubChem CID 105284949) has the molecular formula C15H14BrF3N2 and a molecular weight of 359.19 g/mol. Its IUPAC name is [[4-bromo-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[[4-bromo-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methyl]hydrazine
PubChem CID105284949
Molecular FormulaC15H14BrF3N2
Molecular Weight359.19 g/mol
Exact Mass358.03
IUPAC Name[[4-bromo-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methyl]hydrazine
SMILESCc1cccc(C(NN)c2ccc(Br)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H14BrF3N2/c1-9-3-2-4-10(7-9)14(21-20)11-5-6-13(16)12(8-11)15(17,18)19/h2-8,14,21H,20H2,1H3
InChIKeyAKQFUWTZKFXASQ-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

[(6-bromonaphthalen-2-yl)-(3-methylphenyl)methyl]hydrazine
CID 105284934
[(3-bromo-5-fluorophenyl)-(3-methylphenyl)methyl]hydrazine
CID 105238627
[(3-bromophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107292244
[(3-bromo-5-methylphenyl)-(3-methylphenyl)methyl]hydrazine
CID 105284831
[(2,5-dibromophenyl)-(3-methylphenyl)methyl]hydrazine
CID 105284904
[(3-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105289210
[(3-bromo-5-methylphenyl)-(3-fluorophenyl)methyl]hydrazine
CID 105285496
[(3-bromo-5-chlorophenyl)-(3-methylphenyl)methyl]hydrazine
CID 107948017
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine
CID 115790064
[(3-bromo-2-pyridinyl)-(3-methylphenyl)methyl]hydrazine
CID 105268060
[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine
CID 105325831
[(3-bromophenyl)-phenylmethyl]hydrazine;toluene
CID 145340626

Frequently Asked Questions

What is the IUPAC name of [[4-bromo-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methyl]hydrazine?
The IUPAC name of [[4-bromo-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methyl]hydrazine (CID 105284949) is [[4-bromo-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [[4-bromo-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methyl]hydrazine?
The canonical SMILES for [[4-bromo-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methyl]hydrazine is Cc1cccc(C(NN)c2ccc(Br)c(C(F)(F)F)c2)c1.
What is the InChIKey of [[4-bromo-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methyl]hydrazine?
The InChIKey is AKQFUWTZKFXASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF3N2/c1-9-3-2-4-10(7-9)14(21-20)11-5-6-13(16)12(8-11)15(17,18)19/h2-8,14,21H,20H2,1H3.
What are the key properties of [[4-bromo-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methyl]hydrazine?
[[4-bromo-3-(trifluoromethyl)phenyl]-(3-methylphenyl)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 [[4-bromo-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 105284949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).