[(5,6-dimethyl-1,4-dithian-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine

C14H19F3N2S2 — CID 103347136

IUPAC[(5,6-dimethyl-1,4-dithian-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESCC1SCC(C(NN)c2cccc(C(F)(F)F)c2)SC1C
InChIInChI=1S/C14H19F3N2S2/c1-8-9(2)21-12(7-20-8)13(19-18)10-4-3-5-11(6-10)14(15,16)17/h3-6,8-9,12-13,19H,7,18H2,1-2H3
InChIKeyXYUJUFGFPWIRAD-UHFFFAOYSA-N
MW336.45 g/mol
LogP3.84
Rot. Bonds3

About [(5,6-dimethyl-1,4-dithian-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine

[(5,6-dimethyl-1,4-dithian-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine (PubChem CID 103347136) has the molecular formula C14H19F3N2S2 and a molecular weight of 336.45 g/mol. Its IUPAC name is [(5,6-dimethyl-1,4-dithian-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[(5,6-dimethyl-1,4-dithian-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
PubChem CID103347136
Molecular FormulaC14H19F3N2S2
Molecular Weight336.45 g/mol
Exact Mass336.09
IUPAC Name[(5,6-dimethyl-1,4-dithian-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESCC1SCC(C(NN)c2cccc(C(F)(F)F)c2)SC1C
InChIInChI=1S/C14H19F3N2S2/c1-8-9(2)21-12(7-20-8)13(19-18)10-4-3-5-11(6-10)14(15,16)17/h3-6,8-9,12-13,19H,7,18H2,1-2H3
InChIKeyXYUJUFGFPWIRAD-UHFFFAOYSA-N
XLogP3.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 53.84
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

[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193820
[cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193958
[(3,5-dimethoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine
CID 103347267
[(2,3-difluoro-4-methylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine
CID 107516548
[(5,6-dimethyl-1,4-dithian-2-yl)-(2-methoxyphenyl)methyl]hydrazine
CID 103347185
[(1,4-dimethylpiperazin-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105247407
[(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
CID 106884464
[1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250081
1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 65399168
1-(5,6-dimethyl-1,4-dithian-2-yl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 103345907
N-[thiolan-2-yl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 80626433
[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 53402398

Frequently Asked Questions

What is the IUPAC name of [(5,6-dimethyl-1,4-dithian-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine?
The IUPAC name of [(5,6-dimethyl-1,4-dithian-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine (CID 103347136) is [(5,6-dimethyl-1,4-dithian-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine.
What is the SMILES notation for [(5,6-dimethyl-1,4-dithian-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine?
The canonical SMILES for [(5,6-dimethyl-1,4-dithian-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine is CC1SCC(C(NN)c2cccc(C(F)(F)F)c2)SC1C.
What is the InChIKey of [(5,6-dimethyl-1,4-dithian-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine?
The InChIKey is XYUJUFGFPWIRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2S2/c1-8-9(2)21-12(7-20-8)13(19-18)10-4-3-5-11(6-10)14(15,16)17/h3-6,8-9,12-13,19H,7,18H2,1-2H3.
What are the key properties of [(5,6-dimethyl-1,4-dithian-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine?
[(5,6-dimethyl-1,4-dithian-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine has a molecular weight of 336.45 g/mol, XLogP of 3.84, 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)-[3-(trifluoromethyl)phenyl]methyl]hydrazine is sourced from PubChem (CID 103347136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).