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

C11H8Br2F2N2S — CID 107541246

IUPAC[(2-bromo-3,4-difluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine
SMILESNNC(c1cscc1Br)c1ccc(F)c(F)c1Br
InChIInChI=1S/C11H8Br2F2N2S/c12-7-4-18-3-6(7)11(17-16)5-1-2-8(14)10(15)9(5)13/h1-4,11,17H,16H2
InChIKeyCAYDLSKDTYIWDW-UHFFFAOYSA-N
MW398.07 g/mol
LogP4.10
Rot. Bonds3

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

[(2-bromo-3,4-difluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine (PubChem CID 107541246) has the molecular formula C11H8Br2F2N2S and a molecular weight of 398.07 g/mol. Its IUPAC name is [(2-bromo-3,4-difluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-3,4-difluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine
PubChem CID107541246
Molecular FormulaC11H8Br2F2N2S
Molecular Weight398.07 g/mol
Exact Mass395.87
IUPAC Name[(2-bromo-3,4-difluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine
SMILESNNC(c1cscc1Br)c1ccc(F)c(F)c1Br
InChIInChI=1S/C11H8Br2F2N2S/c12-7-4-18-3-6(7)11(17-16)5-1-2-8(14)10(15)9(5)13/h1-4,11,17H,16H2
InChIKeyCAYDLSKDTYIWDW-UHFFFAOYSA-N
XLogP4.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.07
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-3,4-difluorophenyl)methyl]hydrazine
CID 107541279
[(4-bromo-3-fluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine
CID 105322671
[(2-bromo-3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 107541299
[(2-bromo-3,4-difluorophenyl)-(3-chlorothiophen-2-yl)methyl]hydrazine
CID 107541175
[(4-bromothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105322605
[(2-bromo-3,4-difluorophenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 107541161
[(2-bromofuran-3-yl)-(4-bromothiophen-3-yl)methyl]hydrazine
CID 106860077
[(2-bromo-3,4-difluorophenyl)-(3-fluorophenyl)methyl]hydrazine
CID 107541340
N-[(4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 105010456
[1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropyl]hydrazine
CID 107541408
[(2-bromo-3,4-difluorophenyl)-(2-methoxypyrimidin-5-yl)methyl]hydrazine
CID 112747743
[(2-bromo-3,4-difluorophenyl)-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 107541248

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-3,4-difluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine?
The IUPAC name of [(2-bromo-3,4-difluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine (CID 107541246) is [(2-bromo-3,4-difluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-3,4-difluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-3,4-difluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine is NNC(c1cscc1Br)c1ccc(F)c(F)c1Br.
What is the InChIKey of [(2-bromo-3,4-difluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine?
The InChIKey is CAYDLSKDTYIWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2F2N2S/c12-7-4-18-3-6(7)11(17-16)5-1-2-8(14)10(15)9(5)13/h1-4,11,17H,16H2.
What are the key properties of [(2-bromo-3,4-difluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine?
[(2-bromo-3,4-difluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine has a molecular weight of 398.07 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-3,4-difluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine is sourced from PubChem (CID 107541246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).