[(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine

C15H23FN2S2 — CID 106884464

IUPAC[(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
SMILESCc1cc(C)c(C(NN)C2CSC(C)C(C)S2)c(F)c1
InChIInChI=1S/C15H23FN2S2/c1-8-5-9(2)14(12(16)6-8)15(18-17)13-7-19-10(3)11(4)20-13/h5-6,10-11,13,15,18H,7,17H2,1-4H3
InChIKeyCGQBKNLIHRWGPZ-UHFFFAOYSA-N
MW314.50 g/mol
LogP3.57
Rot. Bonds3

About [(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine

[(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine (PubChem CID 106884464) has the molecular formula C15H23FN2S2 and a molecular weight of 314.50 g/mol. Its IUPAC name is [(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
PubChem CID106884464
Molecular FormulaC15H23FN2S2
Molecular Weight314.50 g/mol
Exact Mass314.13
IUPAC Name[(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
SMILESCc1cc(C)c(C(NN)C2CSC(C)C(C)S2)c(F)c1
InChIInChI=1S/C15H23FN2S2/c1-8-5-9(2)14(12(16)6-8)15(18-17)13-7-19-10(3)11(4)20-13/h5-6,10-11,13,15,18H,7,17H2,1-4H3
InChIKeyCGQBKNLIHRWGPZ-UHFFFAOYSA-N
XLogP3.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.57
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

[(2,3-difluoro-4-methylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine
CID 107516548
[(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 106884319
[(2-fluoro-4,6-dimethylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 106884320
[(3,5-dimethoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine
CID 103347267
[(2-fluoro-4,6-dimethylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 106884649
[(5,6-dimethyl-1,4-dithian-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 103347136
[(1,1-dioxothiolan-3-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
CID 106884400
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 103346428
1-(5,6-dimethyl-1,4-dithian-2-yl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 103345907
1-(4-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103345735
[(5,6-dimethyl-1,4-dithian-2-yl)-(2-methoxyphenyl)methyl]hydrazine
CID 103347185
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 103346326

Frequently Asked Questions

What is the IUPAC name of [(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine?
The IUPAC name of [(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine (CID 106884464) is [(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine.
What is the SMILES notation for [(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine?
The canonical SMILES for [(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine is Cc1cc(C)c(C(NN)C2CSC(C)C(C)S2)c(F)c1.
What is the InChIKey of [(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine?
The InChIKey is CGQBKNLIHRWGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2S2/c1-8-5-9(2)14(12(16)6-8)15(18-17)13-7-19-10(3)11(4)20-13/h5-6,10-11,13,15,18H,7,17H2,1-4H3.
What are the key properties of [(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine?
[(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine has a molecular weight of 314.50 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine is sourced from PubChem (CID 106884464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).