[1-(2-chloro-5-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine

C11H16ClFN2S — CID 102623322

IUPAC[1-(2-chloro-5-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
SMILESCCSCC(Cc1cc(F)ccc1Cl)NN
InChIInChI=1S/C11H16ClFN2S/c1-2-16-7-10(15-14)6-8-5-9(13)3-4-11(8)12/h3-5,10,15H,2,6-7,14H2,1H3
InChIKeyKTLPMFTWLGUERP-UHFFFAOYSA-N
MW262.78 g/mol
LogP2.61
Rot. Bonds6

About [1-(2-chloro-5-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine

[1-(2-chloro-5-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine (PubChem CID 102623322) has the molecular formula C11H16ClFN2S and a molecular weight of 262.78 g/mol. Its IUPAC name is [1-(2-chloro-5-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-5-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
PubChem CID102623322
Molecular FormulaC11H16ClFN2S
Molecular Weight262.78 g/mol
Exact Mass262.07
IUPAC Name[1-(2-chloro-5-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
SMILESCCSCC(Cc1cc(F)ccc1Cl)NN
InChIInChI=1S/C11H16ClFN2S/c1-2-16-7-10(15-14)6-8-5-9(13)3-4-11(8)12/h3-5,10,15H,2,6-7,14H2,1H3
InChIKeyKTLPMFTWLGUERP-UHFFFAOYSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225306
[1-(2-chloro-5-fluorophenyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 102623265
1-(2-chloro-5-fluorophenyl)propan-2-ylhydrazine
CID 102623253
[1-(2-chloro-5-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 102623584
[1-(2-chloro-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-yl]hydrazine
CID 102623264
[1-(2,5-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
CID 105226723
[1-(4-bromo-2-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225209
[1-(2-chloro-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102930015
1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine
CID 105395000
N-ethyl-1-ethylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347936
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 102618580
[1-ethylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine
CID 105225439

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine?
The IUPAC name of [1-(2-chloro-5-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine (CID 102623322) is [1-(2-chloro-5-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-chloro-5-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(2-chloro-5-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine is CCSCC(Cc1cc(F)ccc1Cl)NN.
What is the InChIKey of [1-(2-chloro-5-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine?
The InChIKey is KTLPMFTWLGUERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2S/c1-2-16-7-10(15-14)6-8-5-9(13)3-4-11(8)12/h3-5,10,15H,2,6-7,14H2,1H3.
What are the key properties of [1-(2-chloro-5-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine?
[1-(2-chloro-5-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine has a molecular weight of 262.78 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-5-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine is sourced from PubChem (CID 102623322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).