[[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methyl]hydrazine

C14H11BrClF3N2 — CID 105212866

IUPAC[[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methyl]hydrazine
SMILESNNC(c1cccc(Cl)c1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H11BrClF3N2/c15-9-4-5-11(12(7-9)14(17,18)19)13(21-20)8-2-1-3-10(16)6-8/h1-7,13,21H,20H2
InChIKeyLXBIFIAUPAEVTQ-UHFFFAOYSA-N
MW379.61 g/mol
LogP4.67
Rot. Bonds3

About [[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methyl]hydrazine

[[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methyl]hydrazine (PubChem CID 105212866) has the molecular formula C14H11BrClF3N2 and a molecular weight of 379.61 g/mol. Its IUPAC name is [[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methyl]hydrazine
PubChem CID105212866
Molecular FormulaC14H11BrClF3N2
Molecular Weight379.61 g/mol
Exact Mass377.97
IUPAC Name[[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methyl]hydrazine
SMILESNNC(c1cccc(Cl)c1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H11BrClF3N2/c15-9-4-5-11(12(7-9)14(17,18)19)13(21-20)8-2-1-3-10(16)6-8/h1-7,13,21H,20H2
InChIKeyLXBIFIAUPAEVTQ-UHFFFAOYSA-N
XLogP4.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.61
LogP ≤ 54.67
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

[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol
CID 62691371
[(3-chlorophenyl)-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105257671
[[4-bromo-2-(trifluoromethyl)phenyl]-(2-chlorophenyl)methyl]hydrazine
CID 105212774
[(3-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105289210
[(2,4-dibromophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107948178
[(2-bromophenyl)-(3-chlorophenyl)methyl]hydrazine
CID 105208765
[(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methyl]hydrazine
CID 105280223
[(3-bromophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107292244
[(2,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301356
[(3-bromo-5-chlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107948177
[(3-bromo-4-fluorophenyl)-(3-chlorophenyl)methyl]hydrazine
CID 105264217
[(2-bromo-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107997016

Frequently Asked Questions

What is the IUPAC name of [[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methyl]hydrazine?
The IUPAC name of [[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methyl]hydrazine (CID 105212866) is [[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methyl]hydrazine.
What is the SMILES notation for [[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methyl]hydrazine?
The canonical SMILES for [[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methyl]hydrazine is NNC(c1cccc(Cl)c1)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of [[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methyl]hydrazine?
The InChIKey is LXBIFIAUPAEVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF3N2/c15-9-4-5-11(12(7-9)14(17,18)19)13(21-20)8-2-1-3-10(16)6-8/h1-7,13,21H,20H2.
What are the key properties of [[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methyl]hydrazine?
[[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methyl]hydrazine has a molecular weight of 379.61 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methyl]hydrazine is sourced from PubChem (CID 105212866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).