[(3-bromo-4-chlorophenyl)-(2,5-difluorophenyl)methyl]hydrazine

C13H10BrClF2N2 — CID 105260967

IUPAC[(3-bromo-4-chlorophenyl)-(2,5-difluorophenyl)methyl]hydrazine
SMILESNNC(c1ccc(Cl)c(Br)c1)c1cc(F)ccc1F
InChIInChI=1S/C13H10BrClF2N2/c14-10-5-7(1-3-11(10)15)13(19-18)9-6-8(16)2-4-12(9)17/h1-6,13,19H,18H2
InChIKeyIPENARQOACHQQS-UHFFFAOYSA-N
MW347.59 g/mol
LogP3.93
Rot. Bonds3

About [(3-bromo-4-chlorophenyl)-(2,5-difluorophenyl)methyl]hydrazine

[(3-bromo-4-chlorophenyl)-(2,5-difluorophenyl)methyl]hydrazine (PubChem CID 105260967) has the molecular formula C13H10BrClF2N2 and a molecular weight of 347.59 g/mol. Its IUPAC name is [(3-bromo-4-chlorophenyl)-(2,5-difluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-4-chlorophenyl)-(2,5-difluorophenyl)methyl]hydrazine
PubChem CID105260967
Molecular FormulaC13H10BrClF2N2
Molecular Weight347.59 g/mol
Exact Mass345.97
IUPAC Name[(3-bromo-4-chlorophenyl)-(2,5-difluorophenyl)methyl]hydrazine
SMILESNNC(c1ccc(Cl)c(Br)c1)c1cc(F)ccc1F
InChIInChI=1S/C13H10BrClF2N2/c14-10-5-7(1-3-11(10)15)13(19-18)9-6-8(16)2-4-12(9)17/h1-6,13,19H,18H2
InChIKeyIPENARQOACHQQS-UHFFFAOYSA-N
XLogP3.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.59
LogP ≤ 53.93
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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Frequently Asked Questions

What is the IUPAC name of [(3-bromo-4-chlorophenyl)-(2,5-difluorophenyl)methyl]hydrazine?
The IUPAC name of [(3-bromo-4-chlorophenyl)-(2,5-difluorophenyl)methyl]hydrazine (CID 105260967) is [(3-bromo-4-chlorophenyl)-(2,5-difluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-4-chlorophenyl)-(2,5-difluorophenyl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-4-chlorophenyl)-(2,5-difluorophenyl)methyl]hydrazine is NNC(c1ccc(Cl)c(Br)c1)c1cc(F)ccc1F.
What is the InChIKey of [(3-bromo-4-chlorophenyl)-(2,5-difluorophenyl)methyl]hydrazine?
The InChIKey is IPENARQOACHQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClF2N2/c14-10-5-7(1-3-11(10)15)13(19-18)9-6-8(16)2-4-12(9)17/h1-6,13,19H,18H2.
What are the key properties of [(3-bromo-4-chlorophenyl)-(2,5-difluorophenyl)methyl]hydrazine?
[(3-bromo-4-chlorophenyl)-(2,5-difluorophenyl)methyl]hydrazine has a molecular weight of 347.59 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-4-chlorophenyl)-(2,5-difluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105260967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).