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

C13H8Br2ClF3N2 — CID 107541279

IUPAC[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3,4-difluorophenyl)methyl]hydrazine
SMILESNNC(c1ccc(Br)c(Cl)c1F)c1ccc(F)c(F)c1Br
InChIInChI=1S/C13H8Br2ClF3N2/c14-7-3-1-6(11(18)10(7)16)13(21-20)5-2-4-8(17)12(19)9(5)15/h1-4,13,21H,20H2
InChIKeyRYDGTMZOELGKJJ-UHFFFAOYSA-N
MW444.48 g/mol
LogP4.84
Rot. Bonds3

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

[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3,4-difluorophenyl)methyl]hydrazine (PubChem CID 107541279) has the molecular formula C13H8Br2ClF3N2 and a molecular weight of 444.48 g/mol. Its IUPAC name is [(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3,4-difluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3,4-difluorophenyl)methyl]hydrazine
PubChem CID107541279
Molecular FormulaC13H8Br2ClF3N2
Molecular Weight444.48 g/mol
Exact Mass441.87
IUPAC Name[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3,4-difluorophenyl)methyl]hydrazine
SMILESNNC(c1ccc(Br)c(Cl)c1F)c1ccc(F)c(F)c1Br
InChIInChI=1S/C13H8Br2ClF3N2/c14-7-3-1-6(11(18)10(7)16)13(21-20)5-2-4-8(17)12(19)9(5)15/h1-4,13,21H,20H2
InChIKeyRYDGTMZOELGKJJ-UHFFFAOYSA-N
XLogP4.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 54.84
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

[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-4-chlorophenyl)methyl]hydrazine
CID 107997423
[(4-bromo-3-chloro-2-fluorophenyl)-(5-chloro-2-fluorophenyl)methyl]hydrazine
CID 106765419
[(4-bromo-3-chloro-2-fluorophenyl)-(2-fluorophenyl)methyl]hydrazine
CID 106765249
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methyl]hydrazine
CID 114024336
[(4-bromo-3-chloro-2-fluorophenyl)-(2-chlorofuran-3-yl)methyl]hydrazine
CID 106765512
[(4-bromo-3-chloro-2-fluorophenyl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 106765223
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methyl]hydrazine
CID 106765528
[(2-bromo-3,4-difluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine
CID 107541246
[(4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methyl]hydrazine
CID 106765567
[(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 106765355
[(4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 106765432
[(4-bromo-3-chloro-2-fluorophenyl)-(2-ethylphenyl)methyl]hydrazine
CID 106765526

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3,4-difluorophenyl)methyl]hydrazine?
The IUPAC name of [(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3,4-difluorophenyl)methyl]hydrazine (CID 107541279) is [(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3,4-difluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3,4-difluorophenyl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3,4-difluorophenyl)methyl]hydrazine is NNC(c1ccc(Br)c(Cl)c1F)c1ccc(F)c(F)c1Br.
What is the InChIKey of [(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3,4-difluorophenyl)methyl]hydrazine?
The InChIKey is RYDGTMZOELGKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2ClF3N2/c14-7-3-1-6(11(18)10(7)16)13(21-20)5-2-4-8(17)12(19)9(5)15/h1-4,13,21H,20H2.
What are the key properties of [(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3,4-difluorophenyl)methyl]hydrazine?
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3,4-difluorophenyl)methyl]hydrazine has a molecular weight of 444.48 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3,4-difluorophenyl)methyl]hydrazine is sourced from PubChem (CID 107541279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).