[1-(2-chloro-5-fluorophenyl)-2-cyclohexylsulfanylethyl]hydrazine

C14H20ClFN2S — CID 105397841

IUPAC[1-(2-chloro-5-fluorophenyl)-2-cyclohexylsulfanylethyl]hydrazine
SMILESNNC(CSC1CCCCC1)c1cc(F)ccc1Cl
InChIInChI=1S/C14H20ClFN2S/c15-13-7-6-10(16)8-12(13)14(18-17)9-19-11-4-2-1-3-5-11/h6-8,11,14,18H,1-5,9,17H2
InChIKeyLACPWXAFUXPELE-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.05
Rot. Bonds5

About [1-(2-chloro-5-fluorophenyl)-2-cyclohexylsulfanylethyl]hydrazine

[1-(2-chloro-5-fluorophenyl)-2-cyclohexylsulfanylethyl]hydrazine (PubChem CID 105397841) has the molecular formula C14H20ClFN2S and a molecular weight of 302.85 g/mol. Its IUPAC name is [1-(2-chloro-5-fluorophenyl)-2-cyclohexylsulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-5-fluorophenyl)-2-cyclohexylsulfanylethyl]hydrazine
PubChem CID105397841
Molecular FormulaC14H20ClFN2S
Molecular Weight302.85 g/mol
Exact Mass302.10
IUPAC Name[1-(2-chloro-5-fluorophenyl)-2-cyclohexylsulfanylethyl]hydrazine
SMILESNNC(CSC1CCCCC1)c1cc(F)ccc1Cl
InChIInChI=1S/C14H20ClFN2S/c15-13-7-6-10(16)8-12(13)14(18-17)9-19-11-4-2-1-3-5-11/h6-8,11,14,18H,1-5,9,17H2
InChIKeyLACPWXAFUXPELE-UHFFFAOYSA-N
XLogP4.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.05
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

[2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105227725
[1-(4-chloro-2-fluorophenyl)-2-cyclohexylsulfanylethyl]hydrazine
CID 105227859
[2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
CID 105227559
2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 65138511
2-cyclohexylsulfanyl-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65144633
[1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine
CID 107895084
N-[2-cyclohexylsulfanyl-1-(2,5-dichlorophenyl)ethyl]propan-1-amine
CID 65144498
2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine
CID 65139295
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 65144292
[2-cyclopentylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105227580
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 65139431
[1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine
CID 105397872

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-fluorophenyl)-2-cyclohexylsulfanylethyl]hydrazine?
The IUPAC name of [1-(2-chloro-5-fluorophenyl)-2-cyclohexylsulfanylethyl]hydrazine (CID 105397841) is [1-(2-chloro-5-fluorophenyl)-2-cyclohexylsulfanylethyl]hydrazine.
What is the SMILES notation for [1-(2-chloro-5-fluorophenyl)-2-cyclohexylsulfanylethyl]hydrazine?
The canonical SMILES for [1-(2-chloro-5-fluorophenyl)-2-cyclohexylsulfanylethyl]hydrazine is NNC(CSC1CCCCC1)c1cc(F)ccc1Cl.
What is the InChIKey of [1-(2-chloro-5-fluorophenyl)-2-cyclohexylsulfanylethyl]hydrazine?
The InChIKey is LACPWXAFUXPELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2S/c15-13-7-6-10(16)8-12(13)14(18-17)9-19-11-4-2-1-3-5-11/h6-8,11,14,18H,1-5,9,17H2.
What are the key properties of [1-(2-chloro-5-fluorophenyl)-2-cyclohexylsulfanylethyl]hydrazine?
[1-(2-chloro-5-fluorophenyl)-2-cyclohexylsulfanylethyl]hydrazine has a molecular weight of 302.85 g/mol, XLogP of 4.05, 5 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)-2-cyclohexylsulfanylethyl]hydrazine is sourced from PubChem (CID 105397841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).