[(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine

C13H9BrF4N2 — CID 105238523

IUPAC[(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
SMILESNNC(c1cc(F)cc(Br)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H9BrF4N2/c14-7-3-6(4-8(15)5-7)13(20-19)9-1-2-10(16)12(18)11(9)17/h1-5,13,20H,19H2
InChIKeyJSEPBKVYSGDPRH-UHFFFAOYSA-N
MW349.13 g/mol
LogP3.56
Rot. Bonds3

About [(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine

[(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine (PubChem CID 105238523) has the molecular formula C13H9BrF4N2 and a molecular weight of 349.13 g/mol. Its IUPAC name is [(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
PubChem CID105238523
Molecular FormulaC13H9BrF4N2
Molecular Weight349.13 g/mol
Exact Mass347.99
IUPAC Name[(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
SMILESNNC(c1cc(F)cc(Br)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H9BrF4N2/c14-7-3-6(4-8(15)5-7)13(20-19)9-1-2-10(16)12(18)11(9)17/h1-5,13,20H,19H2
InChIKeyJSEPBKVYSGDPRH-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

(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 66425066
[(4-bromo-3-chlorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105305713
[(2-bromo-3,4-difluorophenyl)-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 107541248
[(4-bromo-2-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105280809
[(2,3,4-trifluorophenyl)-(2,4,6-trifluorophenyl)methyl]hydrazine
CID 105305720
[(2,4-dibromophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 107948222
[(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methyl]hydrazine
CID 107996986
[(3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]hydrazine
CID 107948431
[(2,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105216507
[(2-bromo-3,4-difluorophenyl)-(3-fluorophenyl)methyl]hydrazine
CID 107541340
[(2,5-dibromophenyl)-(3,5-difluorophenyl)methyl]hydrazine
CID 105301861
[(3-fluoro-4-methylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105201418

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
The IUPAC name of [(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine (CID 105238523) is [(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine is NNC(c1cc(F)cc(Br)c1)c1ccc(F)c(F)c1F.
What is the InChIKey of [(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
The InChIKey is JSEPBKVYSGDPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF4N2/c14-7-3-6(4-8(15)5-7)13(20-19)9-1-2-10(16)12(18)11(9)17/h1-5,13,20H,19H2.
What are the key properties of [(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
[(3-bromo-5-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 [(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105238523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).