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

C12H16F2N2S2 — CID 105259573

IUPAC[(3,4-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
SMILESCC1SCCSC1C(NN)c1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2S2/c1-7-12(18-5-4-17-7)11(16-15)8-2-3-9(13)10(14)6-8/h2-3,6-7,11-12,16H,4-5,15H2,1H3
InChIKeyOXTQFWWVEIOQKD-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.71
Rot. Bonds3

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

[(3,4-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine (PubChem CID 105259573) has the molecular formula C12H16F2N2S2 and a molecular weight of 290.40 g/mol. Its IUPAC name is [(3,4-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3,4-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
PubChem CID105259573
Molecular FormulaC12H16F2N2S2
Molecular Weight290.40 g/mol
Exact Mass290.07
IUPAC Name[(3,4-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
SMILESCC1SCCSC1C(NN)c1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2S2/c1-7-12(18-5-4-17-7)11(16-15)8-2-3-9(13)10(14)6-8/h2-3,6-7,11-12,16H,4-5,15H2,1H3
InChIKeyOXTQFWWVEIOQKD-UHFFFAOYSA-N
XLogP2.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.71
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

[(3-fluoro-4-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 107130861
[(3,5-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259663
[(3-methyl-1,4-dithian-2-yl)-thiophen-3-ylmethyl]hydrazine
CID 105259470
[(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methyl]hydrazine
CID 105305016
[(3-methyl-1,4-dithian-2-yl)-(2-methylphenyl)methyl]hydrazine
CID 105259440
[7-bicyclo[4.1.0]heptanyl-(3,4-difluorophenyl)methyl]hydrazine
CID 105304990
[(4-tert-butylcyclohexyl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105232707
N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-(2,3,4-trifluorophenyl)methanamine
CID 115386909
[(3,4-difluorophenyl)-(oxan-4-yl)methyl]hydrazine
CID 105197058
[(1-ethylpyrazol-4-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259535
[(3-bromofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259746
[(3-methyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105259619

Frequently Asked Questions

What is the IUPAC name of [(3,4-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine?
The IUPAC name of [(3,4-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine (CID 105259573) is [(3,4-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3,4-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine?
The canonical SMILES for [(3,4-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine is CC1SCCSC1C(NN)c1ccc(F)c(F)c1.
What is the InChIKey of [(3,4-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine?
The InChIKey is OXTQFWWVEIOQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2S2/c1-7-12(18-5-4-17-7)11(16-15)8-2-3-9(13)10(14)6-8/h2-3,6-7,11-12,16H,4-5,15H2,1H3.
What are the key properties of [(3,4-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine?
[(3,4-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine has a molecular weight of 290.40 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,4-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105259573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).