[2-(5-chloro-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine

C14H20ClFN2S2 — CID 103053681

IUPAC[2-(5-chloro-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine
SMILESCCC1SCCSC1C(Cc1cc(Cl)ccc1F)NN
InChIInChI=1S/C14H20ClFN2S2/c1-2-13-14(20-6-5-19-13)12(18-17)8-9-7-10(15)3-4-11(9)16/h3-4,7,12-14,18H,2,5-6,8,17H2,1H3
InChIKeyCAIQSOQJTJCMFQ-UHFFFAOYSA-N
MW334.91 g/mol
LogP3.48
Rot. Bonds5

About [2-(5-chloro-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine

[2-(5-chloro-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine (PubChem CID 103053681) has the molecular formula C14H20ClFN2S2 and a molecular weight of 334.91 g/mol. Its IUPAC name is [2-(5-chloro-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-chloro-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine
PubChem CID103053681
Molecular FormulaC14H20ClFN2S2
Molecular Weight334.91 g/mol
Exact Mass334.07
IUPAC Name[2-(5-chloro-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine
SMILESCCC1SCCSC1C(Cc1cc(Cl)ccc1F)NN
InChIInChI=1S/C14H20ClFN2S2/c1-2-13-14(20-6-5-19-13)12(18-17)8-9-7-10(15)3-4-11(9)16/h3-4,7,12-14,18H,2,5-6,8,17H2,1H3
InChIKeyCAIQSOQJTJCMFQ-UHFFFAOYSA-N
XLogP3.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.91
LogP ≤ 53.48
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

[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105259997
2-(5-bromo-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)-N-methylethanamine
CID 115387818
(4-chloro-2-fluorophenyl)-(3-ethyl-1,4-dithian-2-yl)methanamine
CID 115387570
2-(4-chloro-3-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)-N-methylethanamine
CID 107885067
[1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chloro-2-fluorophenyl)ethyl]hydrazine
CID 103053767
2-(2,4-dichlorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol
CID 115386317
[2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]hydrazine
CID 103053611
[1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105259979
[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105259904
2-(2-chloro-4-methylphenyl)-1-(3-ethyl-1,4-dithian-2-yl)-N-methylethanamine
CID 106868659
[2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259988
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
CID 115387938

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(5-chloro-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine (CID 103053681) is [2-(5-chloro-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-chloro-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(5-chloro-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine is CCC1SCCSC1C(Cc1cc(Cl)ccc1F)NN.
What is the InChIKey of [2-(5-chloro-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine?
The InChIKey is CAIQSOQJTJCMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2S2/c1-2-13-14(20-6-5-19-13)12(18-17)8-9-7-10(15)3-4-11(9)16/h3-4,7,12-14,18H,2,5-6,8,17H2,1H3.
What are the key properties of [2-(5-chloro-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine?
[2-(5-chloro-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine has a molecular weight of 334.91 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 103053681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).