[(5-bromo-2-fluorophenyl)-(2-methylthiolan-2-yl)methyl]hydrazine

C12H16BrFN2S — CID 105323190

IUPAC[(5-bromo-2-fluorophenyl)-(2-methylthiolan-2-yl)methyl]hydrazine
SMILESCC1(C(NN)c2cc(Br)ccc2F)CCCS1
InChIInChI=1S/C12H16BrFN2S/c1-12(5-2-6-17-12)11(16-15)9-7-8(13)3-4-10(9)14/h3-4,7,11,16H,2,5-6,15H2,1H3
InChIKeyGHLRCCJALOWNQL-UHFFFAOYSA-N
MW319.24 g/mol
LogP3.38
Rot. Bonds3

About [(5-bromo-2-fluorophenyl)-(2-methylthiolan-2-yl)methyl]hydrazine

[(5-bromo-2-fluorophenyl)-(2-methylthiolan-2-yl)methyl]hydrazine (PubChem CID 105323190) has the molecular formula C12H16BrFN2S and a molecular weight of 319.24 g/mol. Its IUPAC name is [(5-bromo-2-fluorophenyl)-(2-methylthiolan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-2-fluorophenyl)-(2-methylthiolan-2-yl)methyl]hydrazine
PubChem CID105323190
Molecular FormulaC12H16BrFN2S
Molecular Weight319.24 g/mol
Exact Mass318.02
IUPAC Name[(5-bromo-2-fluorophenyl)-(2-methylthiolan-2-yl)methyl]hydrazine
SMILESCC1(C(NN)c2cc(Br)ccc2F)CCCS1
InChIInChI=1S/C12H16BrFN2S/c1-12(5-2-6-17-12)11(16-15)9-7-8(13)3-4-10(9)14/h3-4,7,11,16H,2,5-6,15H2,1H3
InChIKeyGHLRCCJALOWNQL-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 53.38
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

N-[(5-bromo-2-fluorophenyl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105167473
[(5-bromo-2-fluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine
CID 105323101
[(5-bromo-2-fluorophenyl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253463
[(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methyl]hydrazine
CID 105300299
1-[1-(aminomethyl)cyclobutyl]-1-(5-bromo-2-fluorophenyl)-N-methylmethanamine
CID 116958816
[2-(3-bromo-2,6-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine
CID 106271374
1-(5-bromo-2-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 116933922
N-[(5-bromo-2-fluorophenyl)-(1-ethylcyclopentyl)methyl]ethanamine
CID 105011844
[(5-bromo-2-fluorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249350
[2-(5-bromo-2-fluorophenyl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 105253385
1-(4-bromo-2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528679
2-(2,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 105105246

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-2-fluorophenyl)-(2-methylthiolan-2-yl)methyl]hydrazine?
The IUPAC name of [(5-bromo-2-fluorophenyl)-(2-methylthiolan-2-yl)methyl]hydrazine (CID 105323190) is [(5-bromo-2-fluorophenyl)-(2-methylthiolan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-2-fluorophenyl)-(2-methylthiolan-2-yl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-2-fluorophenyl)-(2-methylthiolan-2-yl)methyl]hydrazine is CC1(C(NN)c2cc(Br)ccc2F)CCCS1.
What is the InChIKey of [(5-bromo-2-fluorophenyl)-(2-methylthiolan-2-yl)methyl]hydrazine?
The InChIKey is GHLRCCJALOWNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2S/c1-12(5-2-6-17-12)11(16-15)9-7-8(13)3-4-10(9)14/h3-4,7,11,16H,2,5-6,15H2,1H3.
What are the key properties of [(5-bromo-2-fluorophenyl)-(2-methylthiolan-2-yl)methyl]hydrazine?
[(5-bromo-2-fluorophenyl)-(2-methylthiolan-2-yl)methyl]hydrazine has a molecular weight of 319.24 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-2-fluorophenyl)-(2-methylthiolan-2-yl)methyl]hydrazine is sourced from PubChem (CID 105323190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).