[(5-bromo-2-fluorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine

C11H14BrFN2S2 — CID 105249350

IUPAC[(5-bromo-2-fluorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine
SMILESNNC(c1cc(Br)ccc1F)C1CSCCS1
InChIInChI=1S/C11H14BrFN2S2/c12-7-1-2-9(13)8(5-7)11(15-14)10-6-16-3-4-17-10/h1-2,5,10-11,15H,3-4,6,14H2
InChIKeyHCTWUTAGIZOUKB-UHFFFAOYSA-N
MW337.28 g/mol
LogP2.94
Rot. Bonds3

About [(5-bromo-2-fluorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine

[(5-bromo-2-fluorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine (PubChem CID 105249350) has the molecular formula C11H14BrFN2S2 and a molecular weight of 337.28 g/mol. Its IUPAC name is [(5-bromo-2-fluorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-2-fluorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine
PubChem CID105249350
Molecular FormulaC11H14BrFN2S2
Molecular Weight337.28 g/mol
Exact Mass335.98
IUPAC Name[(5-bromo-2-fluorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine
SMILESNNC(c1cc(Br)ccc1F)C1CSCCS1
InChIInChI=1S/C11H14BrFN2S2/c12-7-1-2-9(13)8(5-7)11(15-14)10-6-16-3-4-17-10/h1-2,5,10-11,15H,3-4,6,14H2
InChIKeyHCTWUTAGIZOUKB-UHFFFAOYSA-N
XLogP2.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(5-bromo-2-fluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105167402
[(2-chlorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249146
[1,4-dithian-2-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105249366
[(3-bromothiophen-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249432
[1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105249449
[(3-bromofuran-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249455
[(5-bromo-2-fluorophenyl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253463
1-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylmethanamine
CID 79966631
[(5-bromo-2-fluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 105261300
N-[(5-bromo-2-fluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]propan-1-amine
CID 115387455
[(5-bromo-2-fluorophenyl)-(4-methylmorpholin-2-yl)methyl]hydrazine
CID 105244468
[2-(4-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 107895212

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-2-fluorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine?
The IUPAC name of [(5-bromo-2-fluorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine (CID 105249350) is [(5-bromo-2-fluorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-2-fluorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-2-fluorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine is NNC(c1cc(Br)ccc1F)C1CSCCS1.
What is the InChIKey of [(5-bromo-2-fluorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine?
The InChIKey is HCTWUTAGIZOUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2S2/c12-7-1-2-9(13)8(5-7)11(15-14)10-6-16-3-4-17-10/h1-2,5,10-11,15H,3-4,6,14H2.
What are the key properties of [(5-bromo-2-fluorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine?
[(5-bromo-2-fluorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine has a molecular weight of 337.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-2-fluorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105249350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).