[(1,1-dioxothiolan-3-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine

C13H19FN2O2S — CID 106884400

IUPAC[(1,1-dioxothiolan-3-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
SMILESCc1cc(C)c(C(NN)C2CCS(=O)(=O)C2)c(F)c1
InChIInChI=1S/C13H19FN2O2S/c1-8-5-9(2)12(11(14)6-8)13(16-15)10-3-4-19(17,18)7-10/h5-6,10,13,16H,3-4,7,15H2,1-2H3
InChIKeyXYIQGYMBGVTHAD-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.38
Rot. Bonds3

About [(1,1-dioxothiolan-3-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine

[(1,1-dioxothiolan-3-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine (PubChem CID 106884400) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is [(1,1-dioxothiolan-3-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(1,1-dioxothiolan-3-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
PubChem CID106884400
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name[(1,1-dioxothiolan-3-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
SMILESCc1cc(C)c(C(NN)C2CCS(=O)(=O)C2)c(F)c1
InChIInChI=1S/C13H19FN2O2S/c1-8-5-9(2)12(11(14)6-8)13(16-15)10-3-4-19(17,18)7-10/h5-6,10,13,16H,3-4,7,15H2,1-2H3
InChIKeyXYIQGYMBGVTHAD-UHFFFAOYSA-N
XLogP1.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.38
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

N-[(1,1-dioxothiolan-3-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881886
[(2-fluoro-4,6-dimethylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 106884320
[(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 106884319
1-(1,1-dioxothiolan-3-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 113289751
[2-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105258836
[1-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105258993
[(2-fluoro-4,6-dimethylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 106884649
[(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
CID 106884464
N-[(1,1-dioxothiolan-3-yl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 64905159
(1,1-dioxothian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883860
3-[chloro-(2,4,6-trifluorophenyl)methyl]thiolane 1,1-dioxide
CID 64903948
[(1,1-dioxothiolan-3-yl)-(furan-2-yl)methyl]hydrazine
CID 105258764

Frequently Asked Questions

What is the IUPAC name of [(1,1-dioxothiolan-3-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine?
The IUPAC name of [(1,1-dioxothiolan-3-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine (CID 106884400) is [(1,1-dioxothiolan-3-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine.
What is the SMILES notation for [(1,1-dioxothiolan-3-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine?
The canonical SMILES for [(1,1-dioxothiolan-3-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine is Cc1cc(C)c(C(NN)C2CCS(=O)(=O)C2)c(F)c1.
What is the InChIKey of [(1,1-dioxothiolan-3-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine?
The InChIKey is XYIQGYMBGVTHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-8-5-9(2)12(11(14)6-8)13(16-15)10-3-4-19(17,18)7-10/h5-6,10,13,16H,3-4,7,15H2,1-2H3.
What are the key properties of [(1,1-dioxothiolan-3-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine?
[(1,1-dioxothiolan-3-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine has a molecular weight of 286.37 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1,1-dioxothiolan-3-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine is sourced from PubChem (CID 106884400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).