[(4-bromo-2-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine

C13H9BrF4N2 — CID 105280809

IUPAC[(4-bromo-2-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
SMILESNNC(c1ccc(Br)cc1F)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H9BrF4N2/c14-6-1-2-7(10(16)5-6)13(20-19)8-3-4-9(15)12(18)11(8)17/h1-5,13,20H,19H2
InChIKeyJXTKKYUHJHHBLQ-UHFFFAOYSA-N
MW349.13 g/mol
LogP3.56
Rot. Bonds3

About [(4-bromo-2-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine

[(4-bromo-2-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine (PubChem CID 105280809) has the molecular formula C13H9BrF4N2 and a molecular weight of 349.13 g/mol. Its IUPAC name is [(4-bromo-2-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-2-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
PubChem CID105280809
Molecular FormulaC13H9BrF4N2
Molecular Weight349.13 g/mol
Exact Mass347.99
IUPAC Name[(4-bromo-2-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
SMILESNNC(c1ccc(Br)cc1F)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H9BrF4N2/c14-6-1-2-7(10(16)5-6)13(20-19)8-3-4-9(15)12(18)11(8)17/h1-5,13,20H,19H2
InChIKeyJXTKKYUHJHHBLQ-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.13
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2,4-dibromophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 107948222
[(2,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105216507
[(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105238523
[(5-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]hydrazine
CID 105303164
3-[(4-bromo-2-fluorophenyl)-hydrazinylmethyl]pyridin-4-amine
CID 105280899
[(2,3,4-trifluorophenyl)-(2,4,6-trifluorophenyl)methyl]hydrazine
CID 105305720
[(4-bromo-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine
CID 105280978
[(2-bromo-4-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]hydrazine
CID 114025665
[(4-bromo-3-chlorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105305713
[(4-bromo-2,6-difluorophenyl)-(2,4-difluorophenyl)methyl]hydrazine
CID 105303288
[(4-bromo-2-fluorophenyl)-(4-propylphenyl)methyl]hydrazine
CID 105280828
[(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105305698

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-2-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
The IUPAC name of [(4-bromo-2-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine (CID 105280809) is [(4-bromo-2-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-2-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-2-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine is NNC(c1ccc(Br)cc1F)c1ccc(F)c(F)c1F.
What is the InChIKey of [(4-bromo-2-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
The InChIKey is JXTKKYUHJHHBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF4N2/c14-6-1-2-7(10(16)5-6)13(20-19)8-3-4-9(15)12(18)11(8)17/h1-5,13,20H,19H2.
What are the key properties of [(4-bromo-2-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
[(4-bromo-2-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine has a molecular weight of 349.13 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-2-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105280809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).