[(2,5-dibromothiophen-3-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine

C12H10Br2F2N2S — CID 107970741

IUPAC[(2,5-dibromothiophen-3-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2cc(Br)sc2Br)c(F)c1F
InChIInChI=1S/C12H10Br2F2N2S/c1-5-2-3-6(10(16)9(5)15)11(18-17)7-4-8(13)19-12(7)14/h2-4,11,18H,17H2,1H3
InChIKeyPATRTRMHQBTBBX-UHFFFAOYSA-N
MW412.10 g/mol
LogP4.41
Rot. Bonds3

About [(2,5-dibromothiophen-3-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine

[(2,5-dibromothiophen-3-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine (PubChem CID 107970741) has the molecular formula C12H10Br2F2N2S and a molecular weight of 412.10 g/mol. Its IUPAC name is [(2,5-dibromothiophen-3-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,5-dibromothiophen-3-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
PubChem CID107970741
Molecular FormulaC12H10Br2F2N2S
Molecular Weight412.10 g/mol
Exact Mass409.89
IUPAC Name[(2,5-dibromothiophen-3-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2cc(Br)sc2Br)c(F)c1F
InChIInChI=1S/C12H10Br2F2N2S/c1-5-2-3-6(10(16)9(5)15)11(18-17)7-4-8(13)19-12(7)14/h2-4,11,18H,17H2,1H3
InChIKeyPATRTRMHQBTBBX-UHFFFAOYSA-N
XLogP4.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.10
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(5-bromo-4-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107516730
[(2,5-dibromothiophen-3-yl)-(2,3-dimethylphenyl)methyl]hydrazine
CID 107970220
[(2,5-dibromothiophen-3-yl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 107970684
[(2-bromo-3-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107986248
[(2,5-dibromothiophen-3-yl)-(2,6-difluorophenyl)methyl]hydrazine
CID 107970307
[(2,3-difluoro-4-methylphenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine
CID 107516709
[(2,5-dibromothiophen-3-yl)-naphthalen-1-ylmethyl]hydrazine
CID 107970229
[(2,5-dibromothiophen-3-yl)-(2-propan-2-yloxyphenyl)methyl]hydrazine
CID 107970496
[(2,3-difluoro-4-methylphenyl)-(2,6-difluorophenyl)methyl]hydrazine
CID 107516449
1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513386
[(3-bromo-4-methoxyphenyl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107516558
N-[(2,5-dibromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63504406

Frequently Asked Questions

What is the IUPAC name of [(2,5-dibromothiophen-3-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine?
The IUPAC name of [(2,5-dibromothiophen-3-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine (CID 107970741) is [(2,5-dibromothiophen-3-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [(2,5-dibromothiophen-3-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine?
The canonical SMILES for [(2,5-dibromothiophen-3-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine is Cc1ccc(C(NN)c2cc(Br)sc2Br)c(F)c1F.
What is the InChIKey of [(2,5-dibromothiophen-3-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine?
The InChIKey is PATRTRMHQBTBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2F2N2S/c1-5-2-3-6(10(16)9(5)15)11(18-17)7-4-8(13)19-12(7)14/h2-4,11,18H,17H2,1H3.
What are the key properties of [(2,5-dibromothiophen-3-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine?
[(2,5-dibromothiophen-3-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine has a molecular weight of 412.10 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,5-dibromothiophen-3-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 107970741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).