[2-(5-bromo-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine

C12H16BrFN2O2S — CID 105258878

IUPAC[2-(5-bromo-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
SMILESNNC(Cc1cc(Br)ccc1F)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H16BrFN2O2S/c13-10-1-2-11(14)9(5-10)6-12(16-15)8-3-4-19(17,18)7-8/h1-2,5,8,12,16H,3-4,6-7,15H2
InChIKeyBJSAJKPASBRBKW-UHFFFAOYSA-N
MW351.24 g/mol
LogP1.40
Rot. Bonds4

About [2-(5-bromo-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine

[2-(5-bromo-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine (PubChem CID 105258878) has the molecular formula C12H16BrFN2O2S and a molecular weight of 351.24 g/mol. Its IUPAC name is [2-(5-bromo-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromo-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
PubChem CID105258878
Molecular FormulaC12H16BrFN2O2S
Molecular Weight351.24 g/mol
Exact Mass350.01
IUPAC Name[2-(5-bromo-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
SMILESNNC(Cc1cc(Br)ccc1F)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H16BrFN2O2S/c13-10-1-2-11(14)9(5-10)6-12(16-15)8-3-4-19(17,18)7-8/h1-2,5,8,12,16H,3-4,6-7,15H2
InChIKeyBJSAJKPASBRBKW-UHFFFAOYSA-N
XLogP1.40
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 51.40
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-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105258993
[2-(5-bromo-2-fluorophenyl)-1-(3-methylcyclopentyl)ethyl]hydrazine
CID 105233180
2-(5-chloro-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylethanamine
CID 103049012
2-(2,5-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylethanamine
CID 115336742
2-(5-chloro-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)-N-ethylethanamine
CID 103049013
[2-(5-bromo-2-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine
CID 105229943
[2-(5-bromo-2-fluorophenyl)-1-(3,3-difluorocyclohexyl)ethyl]hydrazine
CID 114216932
[2-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105258836
[1-(1,1-dioxothiolan-3-yl)-2-phenylethyl]hydrazine
CID 105258752
[2-(3-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105258979
2-(4-chloro-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylethanamine
CID 114856740
3-[1-bromo-3-(5-chloro-2-fluorophenyl)propan-2-yl]thiolane 1,1-dioxide
CID 103051314

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(5-bromo-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine (CID 105258878) is [2-(5-bromo-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-bromo-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(5-bromo-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine is NNC(Cc1cc(Br)ccc1F)C1CCS(=O)(=O)C1.
What is the InChIKey of [2-(5-bromo-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine?
The InChIKey is BJSAJKPASBRBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O2S/c13-10-1-2-11(14)9(5-10)6-12(16-15)8-3-4-19(17,18)7-8/h1-2,5,8,12,16H,3-4,6-7,15H2.
What are the key properties of [2-(5-bromo-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine?
[2-(5-bromo-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine has a molecular weight of 351.24 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105258878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).