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

C12H11BrF2N2S — CID 107541161

IUPAC[(2-bromo-3,4-difluorophenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
SMILESCc1ccsc1C(NN)c1ccc(F)c(F)c1Br
InChIInChI=1S/C12H11BrF2N2S/c1-6-4-5-18-12(6)11(17-16)7-2-3-8(14)10(15)9(7)13/h2-5,11,17H,16H2,1H3
InChIKeyACSBZFDALHUHQA-UHFFFAOYSA-N
MW333.20 g/mol
LogP3.65
Rot. Bonds3

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

[(2-bromo-3,4-difluorophenyl)-(3-methylthiophen-2-yl)methyl]hydrazine (PubChem CID 107541161) has the molecular formula C12H11BrF2N2S and a molecular weight of 333.20 g/mol. Its IUPAC name is [(2-bromo-3,4-difluorophenyl)-(3-methylthiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-3,4-difluorophenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
PubChem CID107541161
Molecular FormulaC12H11BrF2N2S
Molecular Weight333.20 g/mol
Exact Mass331.98
IUPAC Name[(2-bromo-3,4-difluorophenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
SMILESCc1ccsc1C(NN)c1ccc(F)c(F)c1Br
InChIInChI=1S/C12H11BrF2N2S/c1-6-4-5-18-12(6)11(17-16)7-2-3-8(14)10(15)9(7)13/h2-5,11,17H,16H2,1H3
InChIKeyACSBZFDALHUHQA-UHFFFAOYSA-N
XLogP3.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 53.65
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

[(2-bromo-3,4-difluorophenyl)-(3-chlorothiophen-2-yl)methyl]hydrazine
CID 107541175
[(2-bromo-3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 107541299
[(2,4-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105322333
[(3-methylthiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208141
[(3-fluoro-4-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105258625
[(3-bromo-2-methylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105322462
[(4-bromothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105222526
[(2-bromo-3,4-difluorophenyl)-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 107541248
[(2-methylsulfanylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105322402
[(2-bromo-3,4-difluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine
CID 107541246
[(2-fluoro-4,6-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 106884497
[(2-methylfuran-3-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105269085

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-3,4-difluorophenyl)-(3-methylthiophen-2-yl)methyl]hydrazine?
The IUPAC name of [(2-bromo-3,4-difluorophenyl)-(3-methylthiophen-2-yl)methyl]hydrazine (CID 107541161) is [(2-bromo-3,4-difluorophenyl)-(3-methylthiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-3,4-difluorophenyl)-(3-methylthiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-3,4-difluorophenyl)-(3-methylthiophen-2-yl)methyl]hydrazine is Cc1ccsc1C(NN)c1ccc(F)c(F)c1Br.
What is the InChIKey of [(2-bromo-3,4-difluorophenyl)-(3-methylthiophen-2-yl)methyl]hydrazine?
The InChIKey is ACSBZFDALHUHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF2N2S/c1-6-4-5-18-12(6)11(17-16)7-2-3-8(14)10(15)9(7)13/h2-5,11,17H,16H2,1H3.
What are the key properties of [(2-bromo-3,4-difluorophenyl)-(3-methylthiophen-2-yl)methyl]hydrazine?
[(2-bromo-3,4-difluorophenyl)-(3-methylthiophen-2-yl)methyl]hydrazine has a molecular weight of 333.20 g/mol, XLogP of 3.65, 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)-(3-methylthiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 107541161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).