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

C13H10BrF3N2 — CID 107541340

IUPAC[(2-bromo-3,4-difluorophenyl)-(3-fluorophenyl)methyl]hydrazine
SMILESNNC(c1cccc(F)c1)c1ccc(F)c(F)c1Br
InChIInChI=1S/C13H10BrF3N2/c14-11-9(4-5-10(16)12(11)17)13(19-18)7-2-1-3-8(15)6-7/h1-6,13,19H,18H2
InChIKeyUAEGAZMYEUWUMH-UHFFFAOYSA-N
MW331.14 g/mol
LogP3.42
Rot. Bonds3

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

[(2-bromo-3,4-difluorophenyl)-(3-fluorophenyl)methyl]hydrazine (PubChem CID 107541340) has the molecular formula C13H10BrF3N2 and a molecular weight of 331.14 g/mol. Its IUPAC name is [(2-bromo-3,4-difluorophenyl)-(3-fluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-3,4-difluorophenyl)-(3-fluorophenyl)methyl]hydrazine
PubChem CID107541340
Molecular FormulaC13H10BrF3N2
Molecular Weight331.14 g/mol
Exact Mass330.00
IUPAC Name[(2-bromo-3,4-difluorophenyl)-(3-fluorophenyl)methyl]hydrazine
SMILESNNC(c1cccc(F)c1)c1ccc(F)c(F)c1Br
InChIInChI=1S/C13H10BrF3N2/c14-11-9(4-5-10(16)12(11)17)13(19-18)7-2-1-3-8(15)6-7/h1-6,13,19H,18H2
InChIKeyUAEGAZMYEUWUMH-UHFFFAOYSA-N
XLogP3.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.14
LogP ≤ 53.42
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-bromo-3,4-difluorophenyl)-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 107541248
[(2,4-difluorophenyl)-(3-fluorophenyl)methyl]hydrazine
CID 105193044
[(4-fluoro-2-methylphenyl)-(3-fluorophenyl)methyl]hydrazine
CID 105192975
[(4-bromo-3,5-dimethylphenyl)-(3-fluorophenyl)methyl]hydrazine
CID 105279509
[(3-chloro-2-fluorophenyl)-(3-fluorophenyl)methyl]hydrazine
CID 105223374
[(2-bromo-3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 107541299
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3,4-difluorophenyl)methyl]hydrazine
CID 107541279
[(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105238523
[(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105193032
[(3-fluorophenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250363
[(2-bromo-4-fluorophenyl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105304939
[(4-bromo-3-chlorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105305713

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-3,4-difluorophenyl)-(3-fluorophenyl)methyl]hydrazine?
The IUPAC name of [(2-bromo-3,4-difluorophenyl)-(3-fluorophenyl)methyl]hydrazine (CID 107541340) is [(2-bromo-3,4-difluorophenyl)-(3-fluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-3,4-difluorophenyl)-(3-fluorophenyl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-3,4-difluorophenyl)-(3-fluorophenyl)methyl]hydrazine is NNC(c1cccc(F)c1)c1ccc(F)c(F)c1Br.
What is the InChIKey of [(2-bromo-3,4-difluorophenyl)-(3-fluorophenyl)methyl]hydrazine?
The InChIKey is UAEGAZMYEUWUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2/c14-11-9(4-5-10(16)12(11)17)13(19-18)7-2-1-3-8(15)6-7/h1-6,13,19H,18H2.
What are the key properties of [(2-bromo-3,4-difluorophenyl)-(3-fluorophenyl)methyl]hydrazine?
[(2-bromo-3,4-difluorophenyl)-(3-fluorophenyl)methyl]hydrazine has a molecular weight of 331.14 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-3,4-difluorophenyl)-(3-fluorophenyl)methyl]hydrazine is sourced from PubChem (CID 107541340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).