[2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine

C13H18F2N2S2 — CID 105259734

IUPAC[2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
SMILESCC1SCCSC1C(Cc1c(F)cccc1F)NN
InChIInChI=1S/C13H18F2N2S2/c1-8-13(19-6-5-18-8)12(17-16)7-9-10(14)3-2-4-11(9)15/h2-4,8,12-13,17H,5-7,16H2,1H3
InChIKeyGHYHKVVBIBRCGX-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.58
Rot. Bonds4

About [2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine

[2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine (PubChem CID 105259734) has the molecular formula C13H18F2N2S2 and a molecular weight of 304.43 g/mol. Its IUPAC name is [2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
PubChem CID105259734
Molecular FormulaC13H18F2N2S2
Molecular Weight304.43 g/mol
Exact Mass304.09
IUPAC Name[2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
SMILESCC1SCCSC1C(Cc1c(F)cccc1F)NN
InChIInChI=1S/C13H18F2N2S2/c1-8-13(19-6-5-18-8)12(17-16)7-9-10(14)3-2-4-11(9)15/h2-4,8,12-13,17H,5-7,16H2,1H3
InChIKeyGHYHKVVBIBRCGX-UHFFFAOYSA-N
XLogP2.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.58
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-(2-bromo-3-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259504
2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol
CID 114931629
[1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105259569
N-[2-(2-chloro-6-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]propan-1-amine
CID 115387328
2-(2,3-difluorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115386935
[1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105259452
2-(2,3-difluorophenyl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115387174
[1-(3-methyl-1,4-dithian-2-yl)-2-quinolin-4-ylethyl]hydrazine
CID 105259589
[2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259686
N-[2-(2-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]propan-1-amine
CID 115387355
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylthian-3-amine
CID 79957855
[2-(2,6-difluorophenyl)-1-(3-methylcyclohexyl)ethyl]hydrazine
CID 105210443

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine (CID 105259734) is [2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine is CC1SCCSC1C(Cc1c(F)cccc1F)NN.
What is the InChIKey of [2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine?
The InChIKey is GHYHKVVBIBRCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2S2/c1-8-13(19-6-5-18-8)12(17-16)7-9-10(14)3-2-4-11(9)15/h2-4,8,12-13,17H,5-7,16H2,1H3.
What are the key properties of [2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine?
[2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine has a molecular weight of 304.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105259734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).